4-(4-oxidanylidene-2-phenethylsulfanyl-quinazolin-3-yl)benzenecarbonitrile

Systemtic Name: 4-(4-oxidanylidene-2-phenethylsulfanyl-quinazolin-3-yl)benzenecarbonitrile Openeye Name: 4-(4-oxo-2-phenethylsulfanyl-quinazolin-3-yl)benzonitrile CAS Name: 4-[4-oxo-2-(phenethylthio)-3-quinazolinyl]benzonitrile IUPAC Name: 4-(4-oxo-2-phenethylsulfanylquinazolin-3-yl)benzonitrile Traditional Name: 4-[4-keto-2-(phenethylthio)quinazolin-3-yl]benzonitrile Formula: C23H17N3OS MolecularWeight: 383.46558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H17N3OS/c24-16-18-10-12-19(13-11-18)26-22(27)20-8-4-5-9-21(20)25-23(26)28-15-14-17-6-2-1-3-7-17/h1-13H,14-15H2