4,5-diphenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4,5-diphenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4,5-diphenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4,5-diphenyl-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4,5-diphenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4,5-diphenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C19H21N4S+ MolecularWeight: 337.46184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4S/c24-19-22(15-21-13-7-8-14-21)20-18(16-9-3-1-4-10-16)23(19)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2/p+1