2-azanyl-6-(furan-2-ylmethylsulfanyl)-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(furan-2-ylmethylsulfanyl)-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(3-benzyloxyphenyl)-6-(2-furylmethylsulfanyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-(2-furanylmethylthio)-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(furan-2-ylmethylsulfanyl)-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(3-benzoxyphenyl)-6-(2-furfurylthio)dinicotinonitrile Formula: C25H18N4O2S MolecularWeight: 438.50102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=C(C(=NC(=C3C#N)SCC4=CC=CO4)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=C(C(=NC(=C3C#N)SCC4=CC=CO4)N)C#N

InChI

InChI=1S/C25H18N4O2S/c26-13-21-23(18-8-4-9-19(12-18)31-15-17-6-2-1-3-7-17)22(14-27)25(29-24(21)28)32-16-20-10-5-11-30-20/h1-12H,15-16H2,(H2,28,29)