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

Systemtic Name: 5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione Openeye Name: 5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-phenyl-2-(1-pyrrolidin-1-iumylmethyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione Traditional Name: 5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-3-thione Formula: C13H17N4S+ MolecularWeight: 261.36588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4S/c18-13-14-12(11-6-2-1-3-7-11)15-17(13)10-16-8-4-5-9-16/h1-3,6-7H,4-5,8-10H2,(H,14,15,18)/p+1