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

Systemtic Name: 2-(2-aminophenyl)sulfanyl-6-azanyl-4-(3,4-dimethoxyphenyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-(2-aminophenyl)sulfanyl-4-(3,4-dimethoxyphenyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[(2-aminophenyl)thio]-4-(3,4-dimethoxyphenyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(2-aminophenyl)sulfanyl-4-(3,4-dimethoxyphenyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(2-aminophenyl)thio]-4-(3,4-dimethoxyphenyl)dinicotinonitrile Formula: C21H17N5O2S MolecularWeight: 403.45698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC=CC=C3N)N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC=CC=C3N)N)C#N)OC

InChI

InChI=1S/C21H17N5O2S/c1-27-16-8-7-12(9-17(16)28-2)19-13(10-22)20(25)26-21(14(19)11-23)29-18-6-4-3-5-15(18)24/h3-9H,24H2,1-2H3,(H2,25,26)