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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylate Openeye Name: 3-benzyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(4-nitrophenyl)methylthio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxylate IUPAC Name: 3-benzyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-benzyl-4-keto-2-[(4-nitrobenzyl)thio]quinazoline-7-carboxylate Formula: C23H16N3O5S- MolecularWeight: 446.45524

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H17N3O5S/c27-21-19-11-8-17(22(28)29)12-20(19)24-23(25(21)13-15-4-2-1-3-5-15)32-14-16-6-9-18(10-7-16)26(30)31/h1-12H,13-14H2,(H,28,29)/p-1