2-[4-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)thio]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)sulfanyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)thio]phenyl]benzonitrile Formula: C20H14N4S MolecularWeight: 342.41696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CN2)C(=N1)SC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=NC2=C(C=CN2)C(=N1)SC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H14N4S/c1-13-23-19-18(10-11-22-19)20(24-13)25-16-8-6-14(7-9-16)17-5-3-2-4-15(17)12-21/h2-11H,1H3,(H,22,23,24)