4-[[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[3-(2-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[3-(2-chlorophenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[3-(2-chlorophenyl)-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C22H14ClN3OS MolecularWeight: 403.88406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C#N)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C#N)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H14ClN3OS/c23-18-6-2-4-8-20(18)26-21(27)17-5-1-3-7-19(17)25-22(26)28-14-16-11-9-15(13-24)10-12-16/h1-12H,14H2