9-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-8-sulfanylidene-7H-purine-6-carbothioamide

Systemtic Name: 9-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-8-sulfanylidene-7H-purine-6-carbothioamide Openeye Name: 2-(4-nitrophenyl)-9-(p-tolylsulfonyl)-8-thioxo-7H-purine-6-carbothioamide CAS Name: 9-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-8-sulfanylidene-7H-purine-6-carbothioamide IUPAC Name: 9-(4-methylphenyl)sulfonyl-2-(4-nitrophenyl)-8-sulfanylidene-7H-purine-6-carbothioamide Traditional Name: 2-(4-nitrophenyl)-8-thioxo-9-tosyl-7H-purine-6-carbothioamide Formula: C19H14N6O4S3 MolecularWeight: 486.54726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=NC(=NC(=C3NC2=S)C(=S)N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=NC(=NC(=C3NC2=S)C(=S)N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N6O4S3/c1-10-2-8-13(9-3-10)32(28,29)24-18-15(22-19(24)31)14(16(20)30)21-17(23-18)11-4-6-12(7-5-11)25(26)27/h2-9H,1H3,(H2,20,30)(H,22,31)