2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 5-nitro-2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-benzonitrile CAS Name: 2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]-5-nitro-benzonitrile Formula: C22H14N4O3S MolecularWeight: 414.43656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H14N4O3S/c1-14-6-2-5-9-19(14)25-21(27)17-7-3-4-8-18(17)24-22(25)30-20-11-10-16(26(28)29)12-15(20)13-23/h2-12H,1H3