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

Systemtic Name: 3-ethyl-7-[(4-ethylsulfonylphenyl)carbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-ethyl-7-[(4-ethylsulfonylphenyl)carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-ethyl-7-[(4-ethylsulfonylanilino)-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-ethyl-7-[(4-ethylsulfonylphenyl)carbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[(4-esylphenyl)carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate Formula: C19H18N3O4S2- MolecularWeight: 416.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=CC=C(C=C3)S(=O)(=O)CC)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=CC=C(C=C3)S(=O)(=O)CC)[O-]

InChI

InChI=1S/C19H19N3O4S2/c1-3-22-18(24)15-10-5-12(11-16(15)21-19(22)27)17(23)20-13-6-8-14(9-7-13)28(25,26)4-2/h5-11,24H,3-4H2,1-2H3,(H,20,23)/p-1