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

Systemtic Name: 4-[2-[4-(methylamino)quinazolin-2-yl]sulfanylethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-(methylamino)quinazolin-2-yl]sulfanylethoxy]benzonitrile CAS Name: 4-[2-[[4-(methylamino)-2-quinazolinyl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[4-(methylamino)quinazolin-2-yl]sulfanylethoxy]benzonitrile Traditional Name: 4-[2-[[4-(methylamino)quinazolin-2-yl]thio]ethoxy]benzonitrile Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=CC=CC=C21)SCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

CNC1=NC(=NC2=CC=CC=C21)SCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H16N4OS/c1-20-17-15-4-2-3-5-16(15)21-18(22-17)24-11-10-23-14-8-6-13(12-19)7-9-14/h2-9H,10-11H2,1H3,(H,20,21,22)