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

Systemtic Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methylheptan-2-yl)ethanamide Openeye Name: N-(1,5-dimethylhexyl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methylheptan-2-yl)acetamide IUPAC Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methylheptan-2-yl)acetamide Traditional Name: N-(1,5-dimethylhexyl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C19H28N4O2S MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O2S/c1-13(2)6-5-7-14(3)20-17(24)12-23-18(21-22-19(23)26)15-8-10-16(25-4)11-9-15/h8-11,13-14H,5-7,12H2,1-4H3,(H,20,24)(H,22,26)