2-phenyl-2-(6-phenylsulfanylpyridazin-3-yl)ethanenitrile

Systemtic Name: 2-phenyl-2-(6-phenylsulfanylpyridazin-3-yl)ethanenitrile Openeye Name: 2-phenyl-2-(6-phenylsulfanylpyridazin-3-yl)acetonitrile CAS Name: 2-phenyl-2-[6-(phenylthio)-3-pyridazinyl]acetonitrile IUPAC Name: 2-phenyl-2-(6-phenylsulfanylpyridazin-3-yl)acetonitrile Traditional Name: 2-phenyl-2-[6-(phenylthio)pyridazin-3-yl]acetonitrile Formula: C18H13N3S MolecularWeight: 303.38092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C2=NN=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)C2=NN=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C18H13N3S/c19-13-16(14-7-3-1-4-8-14)17-11-12-18(21-20-17)22-15-9-5-2-6-10-15/h1-12,16H