4-[2-[3-(3,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-[3-(3,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[3-(3,4-dichlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]benzonitrile CAS Name: 4-[2-[[3-(3,4-dichlorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]benzonitrile Traditional Name: 4-[2-[[3-(3,4-dichlorophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]benzonitrile Formula: C23H13Cl2N3O2S MolecularWeight: 466.33922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)C#N)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)C#N)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H13Cl2N3O2S/c24-18-10-9-16(11-19(18)25)28-22(30)17-3-1-2-4-20(17)27-23(28)31-13-21(29)15-7-5-14(12-26)6-8-15/h1-11H,13H2