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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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