2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(5-methylhexan-2-yl)ethanamide

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(5-methylhexan-2-yl)ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1,4-dimethylpentyl)acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(5-methylhexan-2-yl)acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(5-methylhexan-2-yl)acetamide Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1,4-dimethylpentyl)acetamide Formula: C17H23ClN4OS MolecularWeight: 366.90872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CCC(C)NC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H23ClN4OS/c1-11(2)4-5-12(3)19-15(23)10-22-16(20-21-17(22)24)13-6-8-14(18)9-7-13/h6-9,11-12H,4-5,10H2,1-3H3,(H,19,23)(H,21,24)