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

Systemtic Name: 3-methyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-methyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-(o-tolyl)-1,2,4-triazole CAS Name: 3-methyl-5-[(2-methyl-3-nitrophenyl)methylthio]-4-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-methyl-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-methyl-5-[(2-methyl-3-nitro-benzyl)thio]-4-(o-tolyl)-1,2,4-triazole Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2S/c1-12-7-4-5-9-16(12)21-14(3)19-20-18(21)25-11-15-8-6-10-17(13(15)2)22(23)24/h4-10H,11H2,1-3H3