2-[[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(p-tolyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(p-tolyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]thio]acetonitrile Formula: C17H14N4S MolecularWeight: 306.38486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NN2)SCC#N)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NN2)SCC#N)C3=CC=NC=C3

InChI

InChI=1S/C17H14N4S/c1-12-2-4-14(5-3-12)16-15(13-6-9-19-10-7-13)17(21-20-16)22-11-8-18/h2-7,9-10H,11H2,1H3,(H,20,21)