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

Systemtic Name: 2-[[cyclohexyl(methyl)amino]methyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole-3-thione Openeye Name: 2-[[cyclohexyl(methyl)amino]methyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole-3-thione CAS Name: 2-[[cyclohexyl(methyl)amino]methyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[cyclohexyl(methyl)amino]methyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole-3-thione Traditional Name: 2-[[cyclohexyl(methyl)amino]methyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole-3-thione Formula: C25H32N4OS MolecularWeight: 436.61278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CN1C(=S)N(C(=N1)C2=CC=C(C=C2)OC)CCC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CN(CN1C(=S)N(C(=N1)C2=CC=C(C=C2)OC)CCC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C25H32N4OS/c1-27(22-11-7-4-8-12-22)19-29-25(31)28(18-17-20-9-5-3-6-10-20)24(26-29)21-13-15-23(30-2)16-14-21/h3,5-6,9-10,13-16,22H,4,7-8,11-12,17-19H2,1-2H3