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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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