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

Systemtic Name: 2-[3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-[3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-5-nitro-benzonitrile CAS Name: 2-[[3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[[4-keto-3-(2-methoxyphenyl)quinazolin-2-yl]thio]-5-nitro-benzonitrile Formula: C22H14N4O4S MolecularWeight: 430.43596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H14N4O4S/c1-30-19-9-5-4-8-18(19)25-21(27)16-6-2-3-7-17(16)24-22(25)31-20-11-10-15(26(28)29)12-14(20)13-23/h2-12H,1H3