N-(3-chloranyl-4-cyano-phenyl)-4-(3-methylphenyl)-2-oxidanyl-2-(thian-4-yl)but-3-ynamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-4-(3-methylphenyl)-2-oxidanyl-2-(thian-4-yl)but-3-ynamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-hydroxy-4-(m-tolyl)-2-tetrahydrothiopyran-4-yl-but-3-ynamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-(3-methylphenyl)-2-(4-thianyl)-3-butynamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-hydroxy-4-(3-methylphenyl)-2-(thian-4-yl)but-3-ynamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-hydroxy-4-(m-tolyl)-2-tetrahydrothiopyran-4-yl-but-3-ynamide Formula: C23H21ClN2O2S MolecularWeight: 424.94304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C#CC(C2CCSCC2)(C(=O)NC3=CC(=C(C=C3)C#N)Cl)O

Isomeric SMILES

CC1=CC=CC(=C1)C#CC(C2CCSCC2)(C(=O)NC3=CC(=C(C=C3)C#N)Cl)O

InChI

InChI=1S/C23H21ClN2O2S/c1-16-3-2-4-17(13-16)7-10-23(28,19-8-11-29-12-9-19)22(27)26-20-6-5-18(15-25)21(24)14-20/h2-6,13-14,19,28H,8-9,11-12H2,1H3,(H,26,27)