2-[[4-(2-ethoxyethylamino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-(2-ethoxyethylamino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(2-ethoxyethylamino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(2-ethoxyethylamino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]thio]acetonitrile IUPAC Name: 2-[[4-(2-ethoxyethylamino)-6-(1-phenylethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-(2-ethoxyethylamino)-6-(1-phenylethylamino)-s-triazin-2-yl]thio]acetonitrile Formula: C17H22N6OS MolecularWeight: 358.46118

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCNC1=NC(=NC(=N1)SCC#N)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCOCCNC1=NC(=NC(=N1)SCC#N)NC(C)C2=CC=CC=C2

InChI

InChI=1S/C17H22N6OS/c1-3-24-11-10-19-15-21-16(23-17(22-15)25-12-9-18)20-13(2)14-7-5-4-6-8-14/h4-8,13H,3,10-12H2,1-2H3,(H2,19,20,21,22,23)