4-[5-(4-chlorophenyl)-3-[2-(oxan-2-yloxy)ethylsulfanyl]-1H-pyrazol-4-yl]pyridine

Systemtic Name: 4-[5-(4-chlorophenyl)-3-[2-(oxan-2-yloxy)ethylsulfanyl]-1H-pyrazol-4-yl]pyridine Openeye Name: 4-[5-(4-chlorophenyl)-3-(2-tetrahydropyran-2-yloxyethylsulfanyl)-1H-pyrazol-4-yl]pyridine CAS Name: 4-[5-(4-chlorophenyl)-3-[2-(2-oxanyloxy)ethylthio]-1H-pyrazol-4-yl]pyridine IUPAC Name: 4-[5-(4-chlorophenyl)-3-[2-(oxan-2-yloxy)ethylsulfanyl]-1H-pyrazol-4-yl]pyridine Traditional Name: 4-[5-(4-chlorophenyl)-3-(2-tetrahydropyran-2-yloxyethylthio)-1H-pyrazol-4-yl]pyridine Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCSC2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCOC(C1)OCCSC2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O2S/c22-17-6-4-16(5-7-17)20-19(15-8-10-23-11-9-15)21(25-24-20)28-14-13-27-18-3-1-2-12-26-18/h4-11,18H,1-3,12-14H2,(H,24,25)