2-[[3-(4-butan-2-ylphenyl)-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[3-(4-butan-2-ylphenyl)-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[7-chloro-4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[3-(4-butan-2-ylphenyl)-7-chloro-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[3-(4-butan-2-ylphenyl)-7-chloro-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[7-chloro-4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]methyl]benzonitrile Formula: C26H22ClN3OS MolecularWeight: 459.99038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC=CC=C4C#N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC=CC=C4C#N

InChI

InChI=1S/C26H22ClN3OS/c1-3-17(2)18-8-11-22(12-9-18)30-25(31)23-13-10-21(27)14-24(23)29-26(30)32-16-20-7-5-4-6-19(20)15-28/h4-14,17H,3,16H2,1-2H3