4-(phenylmethyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-(phenylmethyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-(pyrrolidin-1-ium-1-ylmethyl)-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-(phenylmethyl)-2-(1-pyrrolidin-1-iumylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-(pyrrolidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-(pyrrolidin-1-ium-1-ylmethyl)-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C18H21N4S2+ MolecularWeight: 357.51614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C18H20N4S2/c23-18-21(13-15-7-2-1-3-8-15)17(16-9-6-12-24-16)19-22(18)14-20-10-4-5-11-20/h1-3,6-9,12H,4-5,10-11,13-14H2/p+1