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

Systemtic Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-1-benzofuran-2-carboxamide Openeye Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)benzofuran-2-carboxamide CAS Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-2-benzofurancarboxamide IUPAC Name: N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-1-benzofuran-2-carboxamide Traditional Name: N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)coumarilamide Formula: C20H16N2O2S2 MolecularWeight: 380.48324

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H16N2O2S2/c1-11-6-7-13-14(8-11)20(25)26-19(15(13)10-21)22-18(23)17-9-12-4-2-3-5-16(12)24-17/h2-5,9,11H,6-8H2,1H3,(H,22,23)