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

Systemtic Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[(1-methyl-2-imidazolyl)-phenylmethyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S/c1-22-12-11-20-19(22)18(14-5-3-2-4-6-14)21-17(24)13-27-16-9-7-15(8-10-16)23(25)26/h2-12,18H,13H2,1H3,(H,21,24)