N-(3,4-dihydro-2H-thiochromen-4-yl)-3-nitro-benzamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-nitro-benzamide Openeye Name: 3-nitro-N-thiochroman-4-yl-benzamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-nitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-nitrobenzamide Traditional Name: 3-nitro-N-thiochroman-4-yl-benzamide Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O3S/c19-16(11-4-3-5-12(10-11)18(20)21)17-14-8-9-22-15-7-2-1-6-13(14)15/h1-7,10,14H,8-9H2,(H,17,19)