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

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)-6-(phenylmethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-benzylsulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-methoxyphenyl)-6-(phenylmethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-benzylsulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-(benzylthio)-4-(4-methoxyphenyl)dinicotinonitrile Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC3=CC=CC=C3)N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC3=CC=CC=C3)N)C#N

InChI

InChI=1S/C21H16N4OS/c1-26-16-9-7-15(8-10-16)19-17(11-22)20(24)25-21(18(19)12-23)27-13-14-5-3-2-4-6-14/h2-10H,13H2,1H3,(H2,24,25)