2-methyl-4-(4-methylphenyl)sulfonyl-5-(2-nitrophenyl)-1,2,4-triazol-3-one

Systemtic Name: 2-methyl-4-(4-methylphenyl)sulfonyl-5-(2-nitrophenyl)-1,2,4-triazol-3-one Openeye Name: 2-methyl-5-(2-nitrophenyl)-4-(p-tolylsulfonyl)-1,2,4-triazol-3-one CAS Name: 2-methyl-4-(4-methylphenyl)sulfonyl-5-(2-nitrophenyl)-1,2,4-triazol-3-one IUPAC Name: 2-methyl-4-(4-methylphenyl)sulfonyl-5-(2-nitrophenyl)-1,2,4-triazol-3-one Traditional Name: 2-methyl-5-(2-nitrophenyl)-4-tosyl-1,2,4-triazol-3-one Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NN(C2=O)C)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NN(C2=O)C)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O5S/c1-11-7-9-12(10-8-11)26(24,25)19-15(17-18(2)16(19)21)13-5-3-4-6-14(13)20(22)23/h3-10H,1-2H3