2-azanyl-6-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-(1H-benzimidazol-2-ylmethylthio)-4-phenylpyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(1H-benzimidazol-2-ylmethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-(1H-benzimidazol-2-ylmethylthio)-4-phenyl-dinicotinonitrile Formula: C21H14N6S MolecularWeight: 382.44106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC3=NC4=CC=CC=C4N3)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC3=NC4=CC=CC=C4N3)N)C#N

InChI

InChI=1S/C21H14N6S/c22-10-14-19(13-6-2-1-3-7-13)15(11-23)21(27-20(14)24)28-12-18-25-16-8-4-5-9-17(16)26-18/h1-9H,12H2,(H2,24,27)(H,25,26)