2-[3-(4-methylphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[3-(4-methylphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(3-nitrophenyl)ethanone Openeye Name: 1-(3-nitrophenyl)-2-[4-phenyl-3-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]ethanone CAS Name: 2-[3-(4-methylphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[3-(4-methylphenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(3-nitrophenyl)ethanone Traditional Name: 1-(3-nitrophenyl)-2-[4-phenyl-3-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]ethanone Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O3S/c1-16-10-12-17(13-11-16)22-24-25(23(31)26(22)19-7-3-2-4-8-19)15-21(28)18-6-5-9-20(14-18)27(29)30/h2-14H,15H2,1H3