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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[(4-methyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[[4-methyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(4-methyl-5-morpholino-1,2,4-triazol-3-yl)thio]propionamide Formula: C17H19ClN6O2S MolecularWeight: 406.88976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=NN=C(N2C)N3CCOCC3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=NN=C(N2C)N3CCOCC3

InChI

InChI=1S/C17H19ClN6O2S/c1-11(15(25)20-13-4-3-12(10-19)14(18)9-13)27-17-22-21-16(23(17)2)24-5-7-26-8-6-24/h3-4,9,11H,5-8H2,1-2H3,(H,20,25)