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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]thio]acetonitrile Formula: C16H11ClN4S MolecularWeight: 326.80334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=NN2)SCC#N)C3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=NN2)SCC#N)C3=CC=NC=C3)Cl

InChI

InChI=1S/C16H11ClN4S/c17-13-3-1-12(2-4-13)15-14(11-5-8-19-9-6-11)16(21-20-15)22-10-7-18/h1-6,8-9H,10H2,(H,20,21)