4-(4-chlorophenyl)-5-phenyl-2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-(4-chlorophenyl)-5-phenyl-2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(4-chlorophenyl)-5-phenyl-2-[[2-(2-thienyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(4-chlorophenyl)-5-phenyl-2-[(2-thiophen-2-yl-1-pyrrolidinyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(4-chlorophenyl)-5-phenyl-2-[(2-thiophen-2-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(4-chlorophenyl)-5-phenyl-2-[[2-(2-thienyl)pyrrolidino]methyl]-1,2,4-triazole-3-thione Formula: C23H21ClN4S2 MolecularWeight: 453.02264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C5=CC=CS5

Isomeric SMILES

C1CC(N(C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C5=CC=CS5

InChI

InChI=1S/C23H21ClN4S2/c24-18-10-12-19(13-11-18)28-22(17-6-2-1-3-7-17)25-27(23(28)29)16-26-14-4-8-20(26)21-9-5-15-30-21/h1-3,5-7,9-13,15,20H,4,8,14,16H2