2-azanyl-4-(4-ethoxyphenyl)-6-phenacylsulfanyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-ethoxyphenyl)-6-phenacylsulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-ethoxyphenyl)-6-phenacylsulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-ethoxyphenyl)-6-(phenacylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-ethoxyphenyl)-6-phenacylsulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-(phenacylthio)-4-p-phenetyl-dinicotinonitrile Formula: C23H18N4O2S MolecularWeight: 414.47962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC=CC=C3)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC=CC=C3)N)C#N

InChI

InChI=1S/C23H18N4O2S/c1-2-29-17-10-8-16(9-11-17)21-18(12-24)22(26)27-23(19(21)13-25)30-14-20(28)15-6-4-3-5-7-15/h3-11H,2,14H2,1H3,(H2,26,27)