5-methylsulfanyl-1-(phenylsulfonyl)-2-pyrimidin-2-yl-pyrrolo[2,3-b]pyridine

Systemtic Name: 5-methylsulfanyl-1-(phenylsulfonyl)-2-pyrimidin-2-yl-pyrrolo[2,3-b]pyridine Openeye Name: 1-(benzenesulfonyl)-5-methylsulfanyl-2-pyrimidin-2-yl-pyrrolo[2,3-b]pyridine CAS Name: 1-(benzenesulfonyl)-5-(methylthio)-2-(2-pyrimidinyl)pyrrolo[2,3-b]pyridine IUPAC Name: 1-(benzenesulfonyl)-5-methylsulfanyl-2-pyrimidin-2-ylpyrrolo[2,3-b]pyridine Traditional Name: 1-besyl-5-(methylthio)-2-(2-pyrimidyl)pyrrolo[2,3-b]pyridine Formula: C18H14N4O2S2 MolecularWeight: 382.45936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CN=C2C(=C1)C=C(N2S(=O)(=O)C3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

CSC1=CN=C2C(=C1)C=C(N2S(=O)(=O)C3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C18H14N4O2S2/c1-25-14-10-13-11-16(17-19-8-5-9-20-17)22(18(13)21-12-14)26(23,24)15-6-3-2-4-7-15/h2-12H,1H3