5-(4-bromophenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-bromophenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-bromophenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-bromophenyl)-4-phenyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-bromophenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-bromophenyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C20H22BrN4S+ MolecularWeight: 430.38448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H21BrN4S/c21-17-11-9-16(10-12-17)19-22-24(15-23-13-5-2-6-14-23)20(26)25(19)18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-15H2/p+1