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

Systemtic Name: 2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O3S/c1-11-3-2-4-13(9-11)16-18-17(20-19-16)25-10-15(22)12-5-7-14(8-6-12)21(23)24/h2-9H,10H2,1H3,(H,18,19,20)