2,4-bis(chloranyl)-N-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)benzamide

Systemtic Name: 2,4-bis(chloranyl)-N-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)benzamide Openeye Name: 2,4-dichloro-N-(4-cyano-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)benzamide CAS Name: 2,4-dichloro-N-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)benzamide IUPAC Name: 2,4-dichloro-N-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)benzamide Traditional Name: 2,4-dichloro-N-(4-cyano-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)benzamide Formula: C17H12Cl2N2OS2 MolecularWeight: 395.32598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(SC2=S)NC(=O)C3=C(C=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(SC2=S)NC(=O)C3=C(C=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C17H12Cl2N2OS2/c18-9-5-6-12(14(19)7-9)15(22)21-16-13(8-20)10-3-1-2-4-11(10)17(23)24-16/h5-7H,1-4H2,(H,21,22)