2-azanyl-4-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-6-(phenylmethylsulfanyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-6-(phenylmethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-benzylsulfanyl-4-[3-(2,5-dimethylpyrrol-1-yl)phenyl]pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-[3-(2,5-dimethyl-1-pyrrolyl)phenyl]-6-(phenylmethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-benzylsulfanyl-4-[3-(2,5-dimethylpyrrol-1-yl)phenyl]pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-(benzylthio)-4-[3-(2,5-dimethylpyrrol-1-yl)phenyl]dinicotinonitrile Formula: C26H21N5S MolecularWeight: 435.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C3=C(C(=NC(=C3C#N)SCC4=CC=CC=C4)N)C#N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C3=C(C(=NC(=C3C#N)SCC4=CC=CC=C4)N)C#N)C

InChI

InChI=1S/C26H21N5S/c1-17-11-12-18(2)31(17)21-10-6-9-20(13-21)24-22(14-27)25(29)30-26(23(24)15-28)32-16-19-7-4-3-5-8-19/h3-13H,16H2,1-2H3,(H2,29,30)