2-(4-chloranyl-2-methyl-phenoxy)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)propanamide

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)propanamide Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)propanamide CAS Name: 2-(4-chloro-2-methylphenoxy)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)propanamide IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)propanamide Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)propionamide Formula: C21H21ClN2O2S2 MolecularWeight: 432.98664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C21H21ClN2O2S2/c1-11-4-6-15-16(8-11)21(27)28-20(17(15)10-23)24-19(25)13(3)26-18-7-5-14(22)9-12(18)2/h5,7,9,11,13H,4,6,8H2,1-3H3,(H,24,25)