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

Systemtic Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-methylbutyl)ethanamide Openeye Name: N-isopentyl-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-(3-methylbutyl)acetamide IUPAC Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-methylbutyl)acetamide Traditional Name: N-isoamyl-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CCNC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H22N4O2S/c1-11(2)8-9-17-14(21)10-20-15(18-19-16(20)23)12-4-6-13(22-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,17,21)(H,19,23)