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

Systemtic Name: 4-phenyl-5-(phenylmethyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-phenyl-5-(phenylmethyl)-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-4-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C20H23N4S+ MolecularWeight: 351.48842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CN2C(=S)N(C(=N2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4S/c25-20-23(16-22-13-7-8-14-22)21-19(15-17-9-3-1-4-10-17)24(20)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2/p+1