Chem
J-GLOBAL ID:200907048419058419
Nikkaji number:J1.975.646G
AR-A014418
AR-A014418
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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:
C12 H12 N3 [N+]O3 [O-]S
Molecular formula furigana:
C12-H12-N4-O4-S
Molecular weight:
308.310
InChI:
InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
InChI key:
YAEMHJKFIIIULI-UHFFFAOYSA-N
SMILES:
COc1ccc(CNC(=O)Nc2ncc(s2)[N+](=O)[O-])cc1
Systematic name (4):
1-(4-メトキシベンジル)-3-(5-ニトロチアゾール-2-イル)尿素
N-(4-メトキシベンジル)-N′-(5-ニトロチアゾール-2-イル)尿素
1-[(4-メトキシフェニル)メチル]-3-(5-ニトロ-1,3-チアゾール-2-イル)尿素
1-[(4-methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea
Other name (3):
1-(4-Methoxybenzyl)-3-(5-nitrothiazole-2-yl)urea
AR-A014418
N-(4-Methoxybenzyl)-N′-(5-nitrothiazole-2-yl)urea
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