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

Systemtic Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)pyridine-3-carboxamide Openeye Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)pyridine-3-carboxamide CAS Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-3-pyridinecarboxamide IUPAC Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)pyridine-3-carboxamide Traditional Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)nicotinamide Formula: C17H15N3OS2 MolecularWeight: 341.4505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3OS2/c1-10-4-5-12-13(7-10)17(22)23-16(14(12)8-18)20-15(21)11-3-2-6-19-9-11/h2-3,6,9-10H,4-5,7H2,1H3,(H,20,21)