3-(5-phenylsulfanylpyridin-3-yl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile

Systemtic Name: 3-(5-phenylsulfanylpyridin-3-yl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile Openeye Name: 3-(5-phenylsulfanyl-3-pyridyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile CAS Name: 3-[5-(phenylthio)-3-pyridinyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile IUPAC Name: 3-(5-phenylsulfanylpyridin-3-yl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[5-(phenylthio)-3-pyridyl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propionitrile Formula: C23H17N7S MolecularWeight: 423.49298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CN=CC(=C2)C(CC#N)N3C=C(C=N3)C4=C5C=CNC5=NC=N4

Isomeric SMILES

C1=CC=C(C=C1)SC2=CN=CC(=C2)C(CC#N)N3C=C(C=N3)C4=C5C=CNC5=NC=N4

InChI

InChI=1S/C23H17N7S/c24-8-6-21(16-10-19(13-25-11-16)31-18-4-2-1-3-5-18)30-14-17(12-29-30)22-20-7-9-26-23(20)28-15-27-22/h1-5,7,9-15,21H,6H2,(H,26,27,28)