4-[[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[3-(2,6-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]methyl]-3-nitro-benzamide Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O4S/c1-14-6-5-7-15(2)21(14)27-23(30)18-8-3-4-9-19(18)26-24(27)33-13-17-11-10-16(22(25)29)12-20(17)28(31)32/h3-12H,13H2,1-2H3,(H2,25,29)