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

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

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

Isomeric SMILES

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

InChI

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