N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-(4-nitroimidazol-1-yl)propanamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-(4-nitroimidazol-1-yl)propanamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-(4-nitroimidazol-1-yl)propanamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-3-(4-nitro-1-imidazolyl)propanamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-(4-nitroimidazol-1-yl)propanamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-3-(4-nitroimidazol-1-yl)propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCN3C=C(N=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCN3C=C(N=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N4O3S/c1-14-3-6-18(11-15(14)2)28-17-7-4-16(5-8-17)22-20(25)9-10-23-12-19(21-13-23)24(26)27/h3-8,11-13H,9-10H2,1-2H3,(H,22,25)