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

Systemtic Name: 4-(4-chlorophenyl)-5-(3-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(4-chlorophenyl)-5-(3-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-chlorophenyl)-5-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(4-chlorophenyl)-5-(3-methoxyphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(4-chlorophenyl)-5-(3-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(=C1)C2=NN(C(=S)N2C3=CC=C(C=C3)Cl)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(=S)N2C3=CC=C(C=C3)Cl)C[NH+]4CCCC4

InChI

InChI=1S/C20H21ClN4OS/c1-26-18-6-4-5-15(13-18)19-22-24(14-23-11-2-3-12-23)20(27)25(19)17-9-7-16(21)8-10-17/h4-10,13H,2-3,11-12,14H2,1H3/p+1