methyl 3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[(3,4-dichlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3,4-dichlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(3,4-dichlorobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H12Cl2N2O3S MolecularWeight: 395.25978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H12Cl2N2O3S/c1-24-16(23)10-3-4-11-14(7-10)20-17(25)21(15(11)22)8-9-2-5-12(18)13(19)6-9/h2-7H,8H2,1H3,(H,20,25)