2-(1-methylimidazol-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide Openeye Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide Traditional Name: 2-[(1-methylimidazol-2-yl)thio]-N-(4-nitrophenyl)propionamide Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC=CN2C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC=CN2C

InChI

InChI=1S/C13H14N4O3S/c1-9(21-13-14-7-8-16(13)2)12(18)15-10-3-5-11(6-4-10)17(19)20/h3-9H,1-2H3,(H,15,18)