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

Systemtic Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-[2-(2-thienyl)ethyl]propanamide CAS Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-[2-(2-thienyl)ethyl]propionamide Formula: C21H25ClN4OS2 MolecularWeight: 449.0324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=S)CCC(=O)NCCC2=CC=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=NN(C1=S)CCC(=O)NCCC2=CC=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN4OS2/c1-2-3-13-25-20(16-6-8-17(22)9-7-16)24-26(21(25)28)14-11-19(27)23-12-10-18-5-4-15-29-18/h4-9,15H,2-3,10-14H2,1H3,(H,23,27)