4-chloranyl-N-[2-(3,4-dimethylphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-(3,4-dimethylphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(3,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-(3,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(3,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(3,4-dimethylphenyl)-5,5-diketo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitro-benzamide Formula: C20H17ClN4O5S MolecularWeight: 460.89078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C20H17ClN4O5S/c1-11-3-5-14(7-12(11)2)24-19(15-9-31(29,30)10-17(15)23-24)22-20(26)13-4-6-16(21)18(8-13)25(27)28/h3-8H,9-10H2,1-2H3,(H,22,26)