4-[2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[(2-methyl-3-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[(2-methyl-3-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-[(2-methyl-3-nitro-benzyl)thio]quinazolin-3-yl]benzonitrile Formula: C23H16N4O3S MolecularWeight: 428.46314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H16N4O3S/c1-15-17(5-4-8-21(15)27(29)30)14-31-23-25-20-7-3-2-6-19(20)22(28)26(23)18-11-9-16(13-24)10-12-18/h2-12H,14H2,1H3