2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxy-3-nitro-phenyl)ethanone

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxy-3-nitro-phenyl)ethanone Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxy-3-nitro-phenyl)ethanone CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-(4-methoxy-3-nitrophenyl)ethanone IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxy-3-nitrophenyl)ethanone Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-(4-methoxy-3-nitro-phenyl)ethanone Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O4S/c1-31-21-13-12-17(14-19(21)27(29)30)20(28)15-32-23-25-24-22(16-8-4-2-5-9-16)26(23)18-10-6-3-7-11-18/h2-14H,15H2,1H3