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

Systemtic Name: N-[3-acetamido-4-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]ethanamide Openeye Name: N-[3-acetamido-4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide CAS Name: N-[3-acetamido-4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]acetamide IUPAC Name: N-[3-acetamido-4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide Traditional Name: N-[3-acetamido-4-[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]phenyl]acetamide Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4S/c1-4-5-8-23-17(27)21-22-18(23)28-10-16(26)14-7-6-13(19-11(2)24)9-15(14)20-12(3)25/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,24)(H,20,25)(H,21,27)