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

Systemtic Name: 3-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]thio]propionitrile Formula: C17H13ClN4S MolecularWeight: 340.82992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN4S/c18-14-4-2-13(3-5-14)16-15(12-6-9-20-10-7-12)17(22-21-16)23-11-1-8-19/h2-7,9-10H,1,11H2,(H,21,22)