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

Systemtic Name: 4-[[4-(4-methylphenyl)phthalazin-1-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(p-tolyl)phthalazin-1-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(4-methylphenyl)-1-phthalazinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-(4-methylphenyl)phthalazin-1-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-(p-tolyl)phthalazin-1-yl]thio]methyl]benzonitrile Formula: C23H17N3S MolecularWeight: 367.46618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H17N3S/c1-16-6-12-19(13-7-16)22-20-4-2-3-5-21(20)23(26-25-22)27-15-18-10-8-17(14-24)9-11-18/h2-13H,15H2,1H3