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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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