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

Systemtic Name: N-heptan-2-yl-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1-methylhexyl)acetamide CAS Name: N-heptan-2-yl-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-heptan-2-yl-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1-methylhexyl)acetamide Formula: C18H26N4O2S MolecularWeight: 362.48964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O2S/c1-4-5-6-7-13(2)19-16(23)12-22-17(20-21-18(22)25)14-8-10-15(24-3)11-9-14/h8-11,13H,4-7,12H2,1-3H3,(H,19,23)(H,21,25)