Chem
J-GLOBAL ID:200907001835773740
Nikkaji number:J2.120.797G
5-(4-Bromophenyl)-10-oxo-9,8-(epithioetheno)-1,2,3,10-tetrahydroimidazo[2,1-a]isoquinoline-7-carbonitrile
5-(4-ブロモフェニル)-10-オキソ-9,8-(エピチオエテノ)-1,2,3,10-テトラヒドロイミダゾ[2,1-a]イソキノリン-7-カルボニトリル
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C20 H12 BrN3 OS
Molecular formula furigana:
C20-H12-BR-N3-O-S
Molecular weight:
422.300
InChI:
InChI=1S/C20H12BrN3OS/c21-12-3-1-11(2-4-12)16-9-14-15(10-22)13-5-8-26-19(13)18(25)17(14)20-23-6-7-24(16)20/h1-5,8-9,23H,6-7H2
InChI key:
BMFLZUUTIMCOIZ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1cc2c(C#N)c3ccsc3c(=O)c2c2NCCn12
Systematic name (3):
5-(4-ブロモフェニル)-10-オキソ-9,8-(エピチオエテノ)-1,2,3,10-テトラヒドロイミダゾ[2,1-a]イソキノリン-7-カルボニトリル
7-(4-ブロモフェニル)-16-オキソ-14-チア-3,6-ジアザテトラシクロ[7.7.0.02,6 .011,15 ]ヘキサデカ-1,7,9,11(15),12-ペンタエン-10-カルボニトリル
7-(4-bromophenyl)-16-oxo-14-thia-3,6-diazatetracyclo[7.7.0.02,6 .011,15 ]hexadeca-1,7,9,11(15),12-pentaene-10-carbonitrile
Other name (1):
5-(4-Bromophenyl)-10-oxo-9,8-(epithioetheno)-1,2,3,10-tetrahydroimidazo[2,1-a]isoquinoline-7-carbonitrile
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