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

Systemtic Name: 3-phenethyl-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-phenethyl-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-phenethyl-1H-1,2,4-triazole-5-thione Formula: C17H17N3S MolecularWeight: 295.40198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NNC(=S)N2CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NNC(=S)N2CC3=CC=CC=C3

InChI

InChI=1S/C17H17N3S/c21-17-19-18-16(12-11-14-7-3-1-4-8-14)20(17)13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,21)