2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylate

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylate Openeye Name: 3-benzyl-2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxylate IUPAC Name: 3-benzyl-2-[(3,4-dichlorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-benzyl-2-[(3,4-dichlorobenzyl)thio]-4-keto-quinazoline-7-carboxylate Formula: C23H15Cl2N2O3S- MolecularWeight: 470.3478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)[O-])N=C2SCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)[O-])N=C2SCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H16Cl2N2O3S/c24-18-9-6-15(10-19(18)25)13-31-23-26-20-11-16(22(29)30)7-8-17(20)21(28)27(23)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,29,30)/p-1