3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(4-phenyl-1-phthalazinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-phenylphthalazin-1-yl)thio]methyl]benzonitrile Formula: C22H15N3S MolecularWeight: 353.4396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H15N3S/c23-14-16-7-6-8-17(13-16)15-26-22-20-12-5-4-11-19(20)21(24-25-22)18-9-2-1-3-10-18/h1-13H,15H2