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

Systemtic Name: 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C20H22ClN4OS+ MolecularWeight: 401.93288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C(=S)N2C3=CC=C(C=C3)Cl)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C(=S)N2C3=CC=C(C=C3)Cl)C[NH+]4CCCC4

InChI

InChI=1S/C20H21ClN4OS/c1-26-18-7-3-2-6-17(18)19-22-24(14-23-12-4-5-13-23)20(27)25(19)16-10-8-15(21)9-11-16/h2-3,6-11H,4-5,12-14H2,1H3/p+1