6-bromanyl-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: 6-bromanyl-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-oxidanylidene-chromene-3-carboxamide Openeye Name: 6-bromo-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-oxo-chromene-3-carboxamide CAS Name: 6-bromo-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: 6-bromo-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-oxochromene-3-carboxamide Traditional Name: 6-bromo-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-2-keto-chromene-3-carboxamide Formula: C21H15BrN2O3S2 MolecularWeight: 487.3894

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C21H15BrN2O3S2/c1-10-2-4-13-14(6-10)21(28)29-19(16(13)9-23)24-18(25)15-8-11-7-12(22)3-5-17(11)27-20(15)26/h3,5,7-8,10H,2,4,6H2,1H3,(H,24,25)