4-(phthalazin-1-ylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 4-(phthalazin-1-ylsulfanylmethyl)benzenecarbonitrile Openeye Name: 4-(phthalazin-1-ylsulfanylmethyl)benzonitrile CAS Name: 4-[(1-phthalazinylthio)methyl]benzonitrile IUPAC Name: 4-(phthalazin-1-ylsulfanylmethyl)benzonitrile Traditional Name: 4-[(phthalazin-1-ylthio)methyl]benzonitrile Formula: C16H11N3S MolecularWeight: 277.34364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2SCC3=CC=C(C=C3)C#N

InChI

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