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

Systemtic Name: N-[4-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]ethanamide Openeye Name: N-[4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide CAS Name: N-[4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]acetamide IUPAC Name: N-[4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide Traditional Name: N-[4-[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]phenyl]acetamide Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C16H20N4O3S/c1-3-4-9-20-15(23)18-19-16(20)24-10-14(22)12-5-7-13(8-6-12)17-11(2)21/h5-8H,3-4,9-10H2,1-2H3,(H,17,21)(H,18,23)