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

Systemtic Name: 3-(2-chlorophenyl)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-5-methyl-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-5-methyl-isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-3-yl)-5-methyl-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-N-(4-cyano-7-methyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromen-3-yl)-5-methyl-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-N-(4-cyano-7-methyl-1-thioxo-5,6,7,8-tetrahydroisothiochromen-3-yl)-5-methyl-isoxazole-4-carboxamide Formula: C22H18ClN3O2S2 MolecularWeight: 455.98022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C

Isomeric SMILES

CC1CCC2=C(C1)C(=S)SC(=C2C#N)NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C

InChI

InChI=1S/C22H18ClN3O2S2/c1-11-7-8-13-15(9-11)22(29)30-21(16(13)10-24)25-20(27)18-12(2)28-26-19(18)14-5-3-4-6-17(14)23/h3-6,11H,7-9H2,1-2H3,(H,25,27)