3-(2,3-dimethylphenyl)-7-[(4-ethylsulfonylphenyl)carbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(2,3-dimethylphenyl)-7-[(4-ethylsulfonylphenyl)carbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(2,3-dimethylphenyl)-7-[(4-ethylsulfonylphenyl)carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-(2,3-dimethylphenyl)-7-[(4-ethylsulfonylanilino)-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(2,3-dimethylphenyl)-7-[(4-ethylsulfonylphenyl)carbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(2,3-dimethylphenyl)-7-[(4-esylphenyl)carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C25H22N3O4S2- MolecularWeight: 492.58988

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C4=CC=CC(=C4C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C4=CC=CC(=C4C)C

InChI

InChI=1S/C25H23N3O4S2/c1-4-34(31,32)19-11-9-18(10-12-19)26-23(29)17-8-13-20-21(14-17)27-25(33)28(24(20)30)22-7-5-6-15(2)16(22)3/h5-14,30H,4H2,1-3H3,(H,26,29)/p-1