4-[[7-chloranyl-3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[7-chloranyl-3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[7-chloro-3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[7-chloro-3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[7-chloro-3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[7-chloro-3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]methyl]-3-nitro-benzamide Formula: C24H19ClN4O4S MolecularWeight: 494.95006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19ClN4O4S/c1-13-4-3-5-20(14(13)2)28-23(31)18-9-8-17(25)11-19(18)27-24(28)34-12-16-7-6-15(22(26)30)10-21(16)29(32)33/h3-11H,12H2,1-2H3,(H2,26,30)