3-[[(4-methoxyphenyl)amino]methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[[(4-methoxyphenyl)amino]methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-methoxyanilino)methyl]-4-(p-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-methoxyanilino)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-methoxyanilino)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(p-anisidinomethyl)-4-(p-tolyl)-1H-1,2,4-triazole-5-thione Formula: C17H18N4OS MolecularWeight: 326.41602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)CNC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)CNC3=CC=C(C=C3)OC

InChI

InChI=1S/C17H18N4OS/c1-12-3-7-14(8-4-12)21-16(19-20-17(21)23)11-18-13-5-9-15(22-2)10-6-13/h3-10,18H,11H2,1-2H3,(H,20,23)