4-(4-methylphenyl)-3-methylsulfanyl-5-(4-nitrophenyl)-1,2,4-triazole

Systemtic Name: 4-(4-methylphenyl)-3-methylsulfanyl-5-(4-nitrophenyl)-1,2,4-triazole Openeye Name: 3-methylsulfanyl-5-(4-nitrophenyl)-4-(p-tolyl)-1,2,4-triazole CAS Name: 4-(4-methylphenyl)-3-(methylthio)-5-(4-nitrophenyl)-1,2,4-triazole IUPAC Name: 4-(4-methylphenyl)-3-methylsulfanyl-5-(4-nitrophenyl)-1,2,4-triazole Traditional Name: 3-(methylthio)-5-(4-nitrophenyl)-4-(p-tolyl)-1,2,4-triazole Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O2S/c1-11-3-7-13(8-4-11)19-15(17-18-16(19)23-2)12-5-9-14(10-6-12)20(21)22/h3-10H,1-2H3