2-azanyl-6-(phenylmethylsulfanyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(phenylmethylsulfanyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-benzylsulfanyl-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-(phenylmethylthio)-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-benzylsulfanyl-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-(benzylthio)-4-(3,4,5-trimethoxyphenyl)dinicotinonitrile Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=C2C#N)SCC3=CC=CC=C3)N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=C2C#N)SCC3=CC=CC=C3)N)C#N

InChI

InChI=1S/C23H20N4O3S/c1-28-18-9-15(10-19(29-2)21(18)30-3)20-16(11-24)22(26)27-23(17(20)12-25)31-13-14-7-5-4-6-8-14/h4-10H,13H2,1-3H3,(H2,26,27)