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

Systemtic Name: 3-(3-chlorophenyl)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)propanamide Openeye Name: 3-(3-chlorophenyl)-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)propanamide CAS Name: 3-(3-chlorophenyl)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)propanamide IUPAC Name: 3-(3-chlorophenyl)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)propanamide Traditional Name: 3-(3-chlorophenyl)-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)propionamide Formula: C20H19ClN2OS2 MolecularWeight: 402.96066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)CCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)CCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H19ClN2OS2/c1-12-5-7-15-16(9-12)20(25)26-19(17(15)11-22)23-18(24)8-6-13-3-2-4-14(21)10-13/h2-4,10,12H,5-9H2,1H3,(H,23,24)