N-(5-chloranyl-2-cyano-phenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H18ClN5OS MolecularWeight: 363.86502

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)C#N)C(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)C#N)C(C)C

InChI

InChI=1S/C16H18ClN5OS/c1-4-22-15(10(2)3)20-21-16(22)24-9-14(23)19-13-7-12(17)6-5-11(13)8-18/h5-7,10H,4,9H2,1-3H3,(H,19,23)