N-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-methyl-but-2-enamide

Systemtic Name: N-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-methyl-but-2-enamide Openeye Name: N-(4-cyano-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-methyl-but-2-enamide CAS Name: N-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-3-methyl-2-butenamide IUPAC Name: N-(4-cyano-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-methylbut-2-enamide Traditional Name: N-(4-cyano-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-3-methyl-but-2-enamide Formula: C15H16N2OS2 MolecularWeight: 304.43034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C2=C(CCCC2)C(=S)S1)C#N)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C2=C(CCCC2)C(=S)S1)C#N)C

InChI

InChI=1S/C15H16N2OS2/c1-9(2)7-13(18)17-14-12(8-16)10-5-3-4-6-11(10)15(19)20-14/h7H,3-6H2,1-2H3,(H,17,18)