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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)NC2=C(C3=C(CCCC3)C(=S)S2)C#N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)NC2=C(C3=C(CCCC3)C(=S)S2)C#N)Cl

InChI

InChI=1S/C21H21ClN2O2S2/c1-13-11-14(8-9-18(13)22)26-10-4-7-19(25)24-20-17(12-23)15-5-2-3-6-16(15)21(27)28-20/h8-9,11H,2-7,10H2,1H3,(H,24,25)