2-(4-phenylphthalazin-1-yl)sulfanylethanenitrile

Systemtic Name: 2-(4-phenylphthalazin-1-yl)sulfanylethanenitrile Openeye Name: 2-(4-phenylphthalazin-1-yl)sulfanylacetonitrile CAS Name: 2-[(4-phenyl-1-phthalazinyl)thio]acetonitrile IUPAC Name: 2-(4-phenylphthalazin-1-yl)sulfanylacetonitrile Traditional Name: 2-[(4-phenylphthalazin-1-yl)thio]acetonitrile Formula: C16H11N3S MolecularWeight: 277.34364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC#N

InChI

InChI=1S/C16H11N3S/c17-10-11-20-16-14-9-5-4-8-13(14)15(18-19-16)12-6-2-1-3-7-12/h1-9H,11H2