4-[[4-(4-chlorophenyl)phthalazin-1-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-chlorophenyl)phthalazin-1-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-chlorophenyl)phthalazin-1-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(4-chlorophenyl)-1-phthalazinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(4-chlorophenyl)phthalazin-1-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-(4-chlorophenyl)phthalazin-1-yl]thio]methyl]benzonitrile Formula: C22H14ClN3S MolecularWeight: 387.88466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H14ClN3S/c23-18-11-9-17(10-12-18)21-19-3-1-2-4-20(19)22(26-25-21)27-14-16-7-5-15(13-24)6-8-16/h1-12H,14H2