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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H19ClN6O2S MolecularWeight: 418.90046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)C#N)Cl)N4CCOCC4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)C#N)Cl)N4CCOCC4

InChI

InChI=1S/C18H19ClN6O2S/c19-15-9-13(2-1-12(15)10-20)21-16(26)11-28-18-23-22-17(25(18)14-3-4-14)24-5-7-27-8-6-24/h1-2,9,14H,3-8,11H2,(H,21,26)