N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[(1-methyl-2-imidazolyl)-phenylmethyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=NC=CN2C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(C1=CC=CC=C1)C2=NC=CN2C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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