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

Systemtic Name: 3-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=CC(=C3)C#N)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=CC(=C3)C#N)CCCO

InChI

InChI=1S/C19H17N3O2S/c20-12-14-5-3-6-15(11-14)13-25-19-21-17-8-2-1-7-16(17)18(24)22(19)9-4-10-23/h1-3,5-8,11,23H,4,9-10,13H2