N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-nitro-benzamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-nitro-benzamide Openeye Name: N-(6-chlorothiochroman-4-yl)-3-nitro-benzamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-nitrobenzamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-nitrobenzamide Traditional Name: N-(6-chlorothiochroman-4-yl)-3-nitro-benzamide Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C=C(C=C2)Cl

InChI

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