N-(2-chloranyl-4-nitro-phenyl)-2-[[5-(4-chlorophenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[[5-(4-chlorophenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[[5-(4-chlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[5-(4-chlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[[5-(4-chlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[5-(4-chlorophenyl)-4-keto-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide Formula: C19H12Cl2N6O4S MolecularWeight: 491.30738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C19H12Cl2N6O4S/c20-10-1-3-11(4-2-10)26-18(29)13-8-22-25-17(13)24-19(26)32-9-16(28)23-15-6-5-12(27(30)31)7-14(15)21/h1-8H,9H2,(H,22,25)(H,23,28)