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

Systemtic Name: 2-[[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[(3-benzyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(3-benzyl-4-keto-quinazolin-2-yl)thio]methyl]benzonitrile Formula: C23H17N3OS MolecularWeight: 383.46558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4C#N

InChI

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