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

Systemtic Name: 4-[[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 3-nitro-4-[[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]methyl]-3-nitro-benzamide Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O4S/c1-15-6-8-16(9-7-15)13-27-23(30)19-4-2-3-5-20(19)26-24(27)33-14-18-11-10-17(22(25)29)12-21(18)28(31)32/h2-12H,13-14H2,1H3,(H2,25,29)