4-[4-oxidanylidene-2-[(2-phenyl-1,2,3-triazol-4-yl)methylsulfanyl]quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[4-oxidanylidene-2-[(2-phenyl-1,2,3-triazol-4-yl)methylsulfanyl]quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[4-oxo-2-[(2-phenyltriazol-4-yl)methylsulfanyl]quinazolin-3-yl]benzonitrile CAS Name: 4-[4-oxo-2-[(2-phenyl-4-triazolyl)methylthio]-3-quinazolinyl]benzonitrile IUPAC Name: 4-[4-oxo-2-[(2-phenyltriazol-4-yl)methylsulfanyl]quinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-[(2-phenyltriazol-4-yl)methylthio]quinazolin-3-yl]benzonitrile Formula: C24H16N6OS MolecularWeight: 436.48844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=CC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2N=CC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

InChI

InChI=1S/C24H16N6OS/c25-14-17-10-12-19(13-11-17)29-23(31)21-8-4-5-9-22(21)27-24(29)32-16-18-15-26-30(28-18)20-6-2-1-3-7-20/h1-13,15H,16H2