N-(2-methylsulfanylphenyl)-3-(4-nitroimidazol-1-yl)propanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-3-(4-nitroimidazol-1-yl)propanamide Openeye Name: N-(2-methylsulfanylphenyl)-3-(4-nitroimidazol-1-yl)propanamide CAS Name: N-[2-(methylthio)phenyl]-3-(4-nitro-1-imidazolyl)propanamide IUPAC Name: N-(2-methylsulfanylphenyl)-3-(4-nitroimidazol-1-yl)propanamide Traditional Name: N-[2-(methylthio)phenyl]-3-(4-nitroimidazol-1-yl)propionamide Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCN2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCN2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S/c1-21-11-5-3-2-4-10(11)15-13(18)6-7-16-8-12(14-9-16)17(19)20/h2-5,8-9H,6-7H2,1H3,(H,15,18)