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

Systemtic Name: 2-[[3-(4-butan-2-ylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[3-(4-butan-2-ylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[3-(4-butan-2-ylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]methyl]benzonitrile Formula: C26H23N3OS MolecularWeight: 425.54532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4C#N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4C#N

InChI

InChI=1S/C26H23N3OS/c1-3-18(2)19-12-14-22(15-13-19)29-25(30)23-10-6-7-11-24(23)28-26(29)31-17-21-9-5-4-8-20(21)16-27/h4-15,18H,3,17H2,1-2H3