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

Systemtic Name: 2-azanyl-4-(2,3-dimethoxyphenyl)-6-(phenylmethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-benzylsulfanyl-4-(2,3-dimethoxyphenyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(2,3-dimethoxyphenyl)-6-(phenylmethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-benzylsulfanyl-4-(2,3-dimethoxyphenyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-(benzylthio)-4-(2,3-dimethoxyphenyl)dinicotinonitrile Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O2S/c1-27-18-10-6-9-15(20(18)28-2)19-16(11-23)21(25)26-22(17(19)12-24)29-13-14-7-4-3-5-8-14/h3-10H,13H2,1-2H3,(H2,25,26)