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

Systemtic Name: 1-[[3-(4-chlorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-2-carboxamide Openeye Name: 1-[[3-(4-chlorophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-2-carboxamide CAS Name: 1-[[3-(4-chlorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-2-piperidinecarboxamide IUPAC Name: 1-[[3-(4-chlorophenyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-2-carboxamide Traditional Name: 1-[[3-(4-chlorophenyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]pipecolinamide Formula: C21H22ClN5OS MolecularWeight: 427.95028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)N)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN5OS/c22-16-11-9-15(10-12-16)20-24-26(14-25-13-5-4-8-18(25)19(23)28)21(29)27(20)17-6-2-1-3-7-17/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H2,23,28)