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

Systemtic Name: 3-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(ethylamino)-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-(ethylamino)quinazolin-2-yl]thio]methyl]benzonitrile Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H16N4S/c1-2-20-17-15-8-3-4-9-16(15)21-18(22-17)23-12-14-7-5-6-13(10-14)11-19/h3-10H,2,12H2,1H3,(H,20,21,22)