(1R)-1-[5-(4-chlorophenyl)sulfanyl-1-methyl-3-phenyl-pyrazol-4-yl]hept-2-yn-1-ol

Systemtic Name: (1R)-1-[5-(4-chlorophenyl)sulfanyl-1-methyl-3-phenyl-pyrazol-4-yl]hept-2-yn-1-ol Openeye Name: (1R)-1-[5-(4-chlorophenyl)sulfanyl-1-methyl-3-phenyl-pyrazol-4-yl]hept-2-yn-1-ol CAS Name: (1R)-1-[5-[(4-chlorophenyl)thio]-1-methyl-3-phenyl-4-pyrazolyl]-2-heptyn-1-ol IUPAC Name: (1R)-1-[5-(4-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]hept-2-yn-1-ol Traditional Name: (1R)-1-[5-[(4-chlorophenyl)thio]-1-methyl-3-phenyl-pyrazol-4-yl]hept-2-yn-1-ol Formula: C23H23ClN2OS MolecularWeight: 410.95952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(C1=C(N(N=C1C2=CC=CC=C2)C)SC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CCCCC#C[C@H](C1=C(N(N=C1C2=CC=CC=C2)C)SC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C23H23ClN2OS/c1-3-4-5-9-12-20(27)21-22(17-10-7-6-8-11-17)25-26(2)23(21)28-19-15-13-18(24)14-16-19/h6-8,10-11,13-16,20,27H,3-5H2,1-2H3/t20-/m1/s1