4-(4-bromophenyl)-2-(pyridin-2-ylmethylsulfanyl)-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 4-(4-bromophenyl)-2-(pyridin-2-ylmethylsulfanyl)-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 4-(4-bromophenyl)-2-(2-pyridylmethylsulfanyl)-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 4-(4-bromophenyl)-2-(2-pyridinylmethylthio)-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 4-(4-bromophenyl)-2-(pyridin-2-ylmethylsulfanyl)-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 4-(4-bromophenyl)-2-(2-pyridylmethylthio)-6-(2-thienyl)nicotinonitrile Formula: C22H14BrN3S2 MolecularWeight: 464.40066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1=CC=NC(=C1)CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C22H14BrN3S2/c23-16-8-6-15(7-9-16)18-12-20(21-5-3-11-27-21)26-22(19(18)13-24)28-14-17-4-1-2-10-25-17/h1-12H,14H2