2-(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)-1-(3-nitrophenyl)ethanone Openeye Name: 2-(3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)-1-(3-nitrophenyl)ethanone CAS Name: 2-(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)-1-(3-nitrophenyl)ethanone IUPAC Name: 2-(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)-1-(3-nitrophenyl)ethanone Traditional Name: 2-(3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)-1-(3-nitrophenyl)ethanone Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O3S/c27-20(17-10-7-13-19(14-17)26(28)29)15-24-22(30)25(18-11-5-2-6-12-18)21(23-24)16-8-3-1-4-9-16/h1-14H,15H2