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

Systemtic Name: 3-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(methylamino)-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-(methylamino)quinazolin-2-yl]thio]methyl]benzonitrile Formula: C17H14N4S MolecularWeight: 306.38486

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=CC=CC=C21)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

CNC1=NC(=NC2=CC=CC=C21)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H14N4S/c1-19-16-14-7-2-3-8-15(14)20-17(21-16)22-11-13-6-4-5-12(9-13)10-18/h2-9H,11H2,1H3,(H,19,20,21)