3-[4-[4-(2-methylpropyl)phenyl]phthalazin-1-yl]sulfanylpropanenitrile

Systemtic Name: 3-[4-[4-(2-methylpropyl)phenyl]phthalazin-1-yl]sulfanylpropanenitrile Openeye Name: 3-[4-(4-isobutylphenyl)phthalazin-1-yl]sulfanylpropanenitrile CAS Name: 3-[[4-[4-(2-methylpropyl)phenyl]-1-phthalazinyl]thio]propanenitrile IUPAC Name: 3-[4-[4-(2-methylpropyl)phenyl]phthalazin-1-yl]sulfanylpropanenitrile Traditional Name: 3-[[4-(4-isobutylphenyl)phthalazin-1-yl]thio]propionitrile Formula: C21H21N3S MolecularWeight: 347.47654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3S/c1-15(2)14-16-8-10-17(11-9-16)20-18-6-3-4-7-19(18)21(24-23-20)25-13-5-12-22/h3-4,6-11,15H,5,13-14H2,1-2H3