2-azanyl-4-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-isopropylphenyl)-6-(3-pyridylmethylsulfanyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-propan-2-ylphenyl)-6-(3-pyridinylmethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-p-cumenyl-6-(3-pyridylmethylthio)dinicotinonitrile Formula: C22H19N5S MolecularWeight: 385.48476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5S/c1-14(2)16-5-7-17(8-6-16)20-18(10-23)21(25)27-22(19(20)11-24)28-13-15-4-3-9-26-12-15/h3-9,12,14H,13H2,1-2H3,(H2,25,27)