4-[4-oxidanylidene-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[4-oxidanylidene-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[4-oxo-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-3-yl]benzonitrile CAS Name: 4-[4-oxo-2-[[4-(1-pyrazolyl)phenyl]methylthio]-3-quinazolinyl]benzonitrile IUPAC Name: 4-[4-oxo-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-[(4-pyrazol-1-ylbenzyl)thio]quinazolin-3-yl]benzonitrile Formula: C25H17N5OS MolecularWeight: 435.50038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)N4C=CC=N4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)N4C=CC=N4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H17N5OS/c26-16-18-6-12-21(13-7-18)30-24(31)22-4-1-2-5-23(22)28-25(30)32-17-19-8-10-20(11-9-19)29-15-3-14-27-29/h1-15H,17H2