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

Systemtic Name: 4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-phenyl-2-(1-pyrrolidin-1-iumylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C17H19N4S2+ MolecularWeight: 343.48956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4S2/c22-17-20(13-19-10-4-5-11-19)18-16(15-9-6-12-23-15)21(17)14-7-2-1-3-8-14/h1-3,6-9,12H,4-5,10-11,13H2/p+1