4-[[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]methyl]-3-nitro-benzamide Formula: C23H15N5O4S MolecularWeight: 457.4613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H15N5O4S/c24-12-14-5-9-17(10-6-14)27-22(30)18-3-1-2-4-19(18)26-23(27)33-13-16-8-7-15(21(25)29)11-20(16)28(31)32/h1-11H,13H2,(H2,25,29)