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

Systemtic Name: 2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenyl-ethanone Openeye Name: 2-[3-nitro-5-(p-tolylsulfanyl)-1,2,4-triazol-1-yl]-1-phenyl-ethanone CAS Name: 2-[5-[(4-methylphenyl)thio]-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone IUPAC Name: 2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone Traditional Name: 2-[3-nitro-5-(p-tolylthio)-1,2,4-triazol-1-yl]-1-phenyl-ethanone Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC(=NN2CC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC(=NN2CC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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