2-[4-(phenethylamino)quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-(phenethylamino)quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-(phenethylamino)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-(phenethylamino)-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[4-(phenethylamino)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-(phenethylamino)quinazolin-2-yl]thio]acetonitrile Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC#N

InChI

InChI=1S/C18H16N4S/c19-11-13-23-18-21-16-9-5-4-8-15(16)17(22-18)20-12-10-14-6-2-1-3-7-14/h1-9H,10,12-13H2,(H,20,21,22)