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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]propanenitrile Openeye Name: 2-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]sulfanyl]propanenitrile CAS Name: 2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]thio]propanenitrile IUPAC Name: 2-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]propanenitrile Traditional Name: 2-[[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:

CC(C#N)SC1=NNC(=C1C2=CC=NC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C#N)SC1=NNC(=C1C2=CC=NC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN4S/c1-11(10-19)23-17-15(12-6-8-20-9-7-12)16(21-22-17)13-2-4-14(18)5-3-13/h2-9,11H,1H3,(H,21,22)