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

Systemtic Name: 4-chloranyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-nitro-benzamide Openeye Name: 4-chloro-3-nitro-N-thiochroman-4-yl-benzamide CAS Name: 4-chloro-N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-nitrobenzamide IUPAC Name: 4-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-nitrobenzamide Traditional Name: 4-chloro-3-nitro-N-thiochroman-4-yl-benzamide Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O3S/c17-12-6-5-10(9-14(12)19(21)22)16(20)18-13-7-8-23-15-4-2-1-3-11(13)15/h1-6,9,13H,7-8H2,(H,18,20)