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

Systemtic Name: 4-(phenylmethyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(phenylmethyl)-3-(1-pyrrolidin-1-iumylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-1,2,4-triazole-5-thione Formula: C14H19N4S+ MolecularWeight: 275.39246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NNC(=S)N2CC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CC2=NNC(=S)N2CC3=CC=CC=C3

InChI

InChI=1S/C14H18N4S/c19-14-16-15-13(11-17-8-4-5-9-17)18(14)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,16,19)/p+1