N-(2-methyl-5-nitro-phenyl)-1-oxidanylidene-isothiochromene-3-carboxamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-1-oxidanylidene-isothiochromene-3-carboxamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-1-oxo-isothiochromene-3-carboxamide CAS Name: N-(2-methyl-5-nitrophenyl)-1-oxo-2-benzothiopyran-3-carboxamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-1-oxoisothiochromene-3-carboxamide Traditional Name: 1-keto-N-(2-methyl-5-nitro-phenyl)isothiochromene-3-carboxamide Formula: C17H12N2O4S MolecularWeight: 340.35318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC3=CC=CC=C3C(=O)S2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC3=CC=CC=C3C(=O)S2

InChI

InChI=1S/C17H12N2O4S/c1-10-6-7-12(19(22)23)9-14(10)18-16(20)15-8-11-4-2-3-5-13(11)17(21)24-15/h2-9H,1H3,(H,18,20)