N-(3-chloranyl-4-cyano-phenyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C14H14ClN5O2S MolecularWeight: 351.81126

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C14H14ClN5O2S/c1-2-5-20-13(22)18-19-14(20)23-8-12(21)17-10-4-3-9(7-16)11(15)6-10/h3-4,6H,2,5,8H2,1H3,(H,17,21)(H,18,22)