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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

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