2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]-1-(4-nitrophenyl)ethanone Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O3S/c1-10-7-14-15(8-11(10)2)19-17(18-14)24-9-16(21)12-3-5-13(6-4-12)20(22)23/h3-8H,9H2,1-2H3,(H,18,19)