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

Systemtic Name: 3-methyl-4-(4-methylphenyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Openeye Name: 3-methyl-5-[1-(3-nitrophenyl)ethylsulfanyl]-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-methyl-4-(4-methylphenyl)-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazole IUPAC Name: 3-methyl-4-(4-methylphenyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Traditional Name: 3-methyl-5-[1-(3-nitrophenyl)ethylthio]-4-(p-tolyl)-1,2,4-triazole Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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