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

Systemtic Name: 5-(4-chlorophenyl)-4-(phenylmethyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-(4-chlorophenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-4-(phenylmethyl)-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-(4-chlorophenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-(4-chlorophenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C20H22ClN4S+ MolecularWeight: 385.93348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H21ClN4S/c21-18-10-8-17(9-11-18)19-22-25(15-23-12-4-5-13-23)20(26)24(19)14-16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-15H2/p+1