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

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]thio]butyronitrile Formula: C18H15ClN4S MolecularWeight: 354.8565

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4S/c19-15-5-3-14(4-6-15)17-16(13-7-10-21-11-8-13)18(23-22-17)24-12-2-1-9-20/h3-8,10-11H,1-2,12H2,(H,22,23)