3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-(o-tolyl)-1,2,4-triazole CAS Name: 3-[(2-methyl-3-nitrophenyl)methylthio]-4-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(2-methyl-3-nitrophenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(2-methyl-3-nitro-benzyl)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=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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