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

Systemtic Name: 1-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(4-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-3-yl]thio]acetone Formula: C17H14ClN3OS MolecularWeight: 343.83056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NNC(=C1C2=CC=NC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)CSC1=NNC(=C1C2=CC=NC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN3OS/c1-11(22)10-23-17-15(12-6-8-19-9-7-12)16(20-21-17)13-2-4-14(18)5-3-13/h2-9H,10H2,1H3,(H,20,21)