4-[[3-(4-chlorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-[[3-(4-chlorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[[3-(4-chlorophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide CAS Name: 4-[[3-(4-chlorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[[3-(4-chlorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide Traditional Name: 4-[[3-(4-chlorophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide Formula: C22H25ClN6OS MolecularWeight: 456.9915

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H25ClN6OS/c1-25(2)21(30)27-14-12-26(13-15-27)16-28-22(31)29(19-6-4-3-5-7-19)20(24-28)17-8-10-18(23)11-9-17/h3-11H,12-16H2,1-2H3