3-(4-butoxyphenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-butoxyphenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-(4-butoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-butoxyphenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-(4-butoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-(4-butoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C19H21N3OS MolecularWeight: 339.45454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC=CC=C3

InChI

InChI=1S/C19H21N3OS/c1-2-3-13-23-17-11-9-16(10-12-17)18-20-21-19(24)22(18)14-15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3,(H,21,24)