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

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-methyl-3-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-methyl-3-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-methyl-3-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3S/c1-8-3-4-9(5-10(8)16(18)19)11(17)6-20-12-14-13-7-15(12)2/h3-5,7H,6H2,1-2H3