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

Systemtic Name: 3-methyl-4-(2-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-methyl-5-[(4-nitrophenyl)methylsulfanyl]-4-(o-tolyl)-1,2,4-triazole CAS Name: 3-methyl-4-(2-methylphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-methyl-4-(2-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-methyl-5-[(4-nitrobenzyl)thio]-4-(o-tolyl)-1,2,4-triazole Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H16N4O2S/c1-12-5-3-4-6-16(12)20-13(2)18-19-17(20)24-11-14-7-9-15(10-8-14)21(22)23/h3-10H,11H2,1-2H3