2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methylphenoxy)phenyl]ethanamide

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methylphenoxy)phenyl]ethanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methylphenoxy)phenyl]acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-[2-(4-methylphenoxy)phenyl]acetamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methylphenoxy)phenyl]acetamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-[2-(4-methylphenoxy)phenyl]acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=CC=C2OC3=CC=C(C=C3)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=CC=C2OC3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N4O3S/c1-3-4-13-25-20(27)23-24-21(25)29-14-19(26)22-17-7-5-6-8-18(17)28-16-11-9-15(2)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,26)(H,23,27)