N-(2-cyanoethyl)-1-oxidanylidene-N-phenyl-isothiochromene-3-carboxamide

Systemtic Name: N-(2-cyanoethyl)-1-oxidanylidene-N-phenyl-isothiochromene-3-carboxamide Openeye Name: N-(2-cyanoethyl)-1-oxo-N-phenyl-isothiochromene-3-carboxamide CAS Name: N-(2-cyanoethyl)-1-oxo-N-phenyl-2-benzothiopyran-3-carboxamide IUPAC Name: N-(2-cyanoethyl)-1-oxo-N-phenylisothiochromene-3-carboxamide Traditional Name: N-(2-cyanoethyl)-1-keto-N-phenyl-isothiochromene-3-carboxamide Formula: C19H14N2O2S MolecularWeight: 334.39166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)C2=CC3=CC=CC=C3C(=O)S2

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)C2=CC3=CC=CC=C3C(=O)S2

InChI

InChI=1S/C19H14N2O2S/c20-11-6-12-21(15-8-2-1-3-9-15)18(22)17-13-14-7-4-5-10-16(14)19(23)24-17/h1-5,7-10,13H,6,12H2