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

Systemtic Name: 2-azanyl-4-(3,4-dimethoxyphenyl)-6-phenylsulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-phenylsulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-(phenylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-(phenylthio)dinicotinonitrile Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC=CC=C3)N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC=CC=C3)N)C#N)OC

InChI

InChI=1S/C21H16N4O2S/c1-26-17-9-8-13(10-18(17)27-2)19-15(11-22)20(24)25-21(16(19)12-23)28-14-6-4-3-5-7-14/h3-10H,1-2H3,(H2,24,25)