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

Systemtic Name: 5-bromanyl-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)pyridine-3-carboxamide Openeye Name: 5-bromo-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)pyridine-3-carboxamide CAS Name: 5-bromo-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)pyridine-3-carboxamide Traditional Name: 5-bromo-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)nicotinamide Formula: C17H14BrN3OS2 MolecularWeight: 420.34656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3OS2/c1-9-2-3-12-13(4-9)17(23)24-16(14(12)6-19)21-15(22)10-5-11(18)8-20-7-10/h5,7-9H,2-4H2,1H3,(H,21,22)