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

Systemtic Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(2-thienylmethyl)propanamide CAS Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(2-thenyl)propionamide Formula: C20H23ClN4OS2 MolecularWeight: 435.00582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=S)CCC(=O)NCC2=CC=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=NN(C1=S)CCC(=O)NCC2=CC=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN4OS2/c1-2-3-11-24-19(15-6-8-16(21)9-7-15)23-25(20(24)27)12-10-18(26)22-14-17-5-4-13-28-17/h4-9,13H,2-3,10-12,14H2,1H3,(H,22,26)