1-(4-methyl-3-nitro-phenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 2-(1-allylbenzimidazol-2-yl)sulfanyl-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 1-(4-methyl-3-nitrophenyl)-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 2-[(1-allylbenzimidazol-2-yl)thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2CC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2CC=C)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O3S/c1-3-10-21-16-7-5-4-6-15(16)20-19(21)26-12-18(23)14-9-8-13(2)17(11-14)22(24)25/h3-9,11H,1,10,12H2,2H3