7-[(4-bromanyl-2-methyl-phenyl)carbamoyl]-3-ethyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[(4-bromanyl-2-methyl-phenyl)carbamoyl]-3-ethyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-[(4-bromo-2-methyl-phenyl)carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[(4-bromo-2-methylanilino)-oxomethyl]-3-ethyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[(4-bromo-2-methylphenyl)carbamoyl]-3-ethyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[(4-bromo-2-methyl-phenyl)carbamoyl]-3-ethyl-2-thioxo-quinazolin-4-olate Formula: C18H15BrN3O2S- MolecularWeight: 417.2996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O2S/c1-3-22-17(24)13-6-4-11(9-15(13)21-18(22)25)16(23)20-14-7-5-12(19)8-10(14)2/h4-9,24H,3H2,1-2H3,(H,20,23)/p-1