2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methylheptan-2-yl)ethanamide

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methylheptan-2-yl)ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1,5-dimethylhexyl)acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methylheptan-2-yl)acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methylheptan-2-yl)acetamide Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1,5-dimethylhexyl)acetamide Formula: C18H25ClN4OS MolecularWeight: 380.9353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4OS/c1-12(2)5-4-6-13(3)20-16(24)11-23-17(21-22-18(23)25)14-7-9-15(19)10-8-14/h7-10,12-13H,4-6,11H2,1-3H3,(H,20,24)(H,22,25)