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

Systemtic Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)propanamide Openeye Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)propanamide CAS Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)propanamide IUPAC Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)propanamide Traditional Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)propionamide Formula: C14H16N2OS2 MolecularWeight: 292.41964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C2=C(CC(CC2)C)C(=S)S1)C#N

Isomeric SMILES

CCC(=O)NC1=C(C2=C(CC(CC2)C)C(=S)S1)C#N

InChI

InChI=1S/C14H16N2OS2/c1-3-12(17)16-13-11(7-15)9-5-4-8(2)6-10(9)14(18)19-13/h8H,3-6H2,1-2H3,(H,16,17)