2-azanyl-6-(1H-imidazol-2-ylmethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(1H-imidazol-2-ylmethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-(1H-imidazol-2-ylmethylthio)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(1H-imidazol-2-ylmethylsulfanyl)-4-(3-methoxyphenyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-(1H-imidazol-2-ylmethylthio)-4-(3-methoxyphenyl)dinicotinonitrile Formula: C18H14N6OS MolecularWeight: 362.40836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=NC(=C2C#N)SCC3=NC=CN3)N)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=NC(=C2C#N)SCC3=NC=CN3)N)C#N

InChI

InChI=1S/C18H14N6OS/c1-25-12-4-2-3-11(7-12)16-13(8-19)17(21)24-18(14(16)9-20)26-10-15-22-5-6-23-15/h2-7H,10H2,1H3,(H2,21,24)(H,22,23)