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

Systemtic Name: 1-[[3-(2,4-dichlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide Openeye Name: 1-[[3-(2,4-dichlorophenyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide CAS Name: 1-[[3-(2,4-dichlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[[3-(2,4-dichlorophenyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-[[3-(2,4-dichlorophenyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotamide Formula: C17H21Cl2N5OS MolecularWeight: 414.35254

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCC(CC2)C(=O)N)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCC(CC2)C(=O)N)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H21Cl2N5OS/c1-2-23-16(13-4-3-12(18)9-14(13)19)21-24(17(23)26)10-22-7-5-11(6-8-22)15(20)25/h3-4,9,11H,2,5-8,10H2,1H3,(H2,20,25)