3-methyl-7-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-methyl-7-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-methyl-7-[2-(4-methylsulfonyl-2-nitro-anilino)ethylcarbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-methyl-7-[[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-methyl-7-[2-(4-methylsulfonyl-2-nitroanilino)ethylcarbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[2-(4-mesyl-2-nitro-anilino)ethylcarbamoyl]-3-methyl-2-thioxo-quinazolin-4-olate Formula: C19H18N5O6S2- MolecularWeight: 476.50612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])[O-]

Isomeric SMILES

CN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H19N5O6S2/c1-23-18(26)13-5-3-11(9-15(13)22-19(23)31)17(25)21-8-7-20-14-6-4-12(32(2,29)30)10-16(14)24(27)28/h3-6,9-10,20,26H,7-8H2,1-2H3,(H,21,25)/p-1