N-[3-(3,4-dichlorophenyl)-4-oxidanylidene-thiochromen-2-yl]-4-nitro-benzamide

Systemtic Name: N-[3-(3,4-dichlorophenyl)-4-oxidanylidene-thiochromen-2-yl]-4-nitro-benzamide Openeye Name: N-[3-(3,4-dichlorophenyl)-4-oxo-thiochromen-2-yl]-4-nitro-benzamide CAS Name: N-[3-(3,4-dichlorophenyl)-4-oxo-1-benzothiopyran-2-yl]-4-nitrobenzamide IUPAC Name: N-[3-(3,4-dichlorophenyl)-4-oxothiochromen-2-yl]-4-nitrobenzamide Traditional Name: N-[3-(3,4-dichlorophenyl)-4-keto-thiochromen-2-yl]-4-nitro-benzamide Formula: C22H12Cl2N2O4S MolecularWeight: 471.31268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H12Cl2N2O4S/c23-16-10-7-13(11-17(16)24)19-20(27)15-3-1-2-4-18(15)31-22(19)25-21(28)12-5-8-14(9-6-12)26(29)30/h1-11H,(H,25,28)