3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-cyclopentyl-propanamide

Systemtic Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-cyclopentyl-propanamide Openeye Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-cyclopentyl-propanamide CAS Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-cyclopentylpropanamide IUPAC Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-cyclopentylpropanamide Traditional Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-cyclopentyl-propionamide Formula: C20H27ClN4OS MolecularWeight: 406.97258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=S)CCC(=O)NC2CCCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=NN(C1=S)CCC(=O)NC2CCCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H27ClN4OS/c1-2-3-13-24-19(15-8-10-16(21)11-9-15)23-25(20(24)27)14-12-18(26)22-17-6-4-5-7-17/h8-11,17H,2-7,12-14H2,1H3,(H,22,26)