(1R)-1-(1-methyl-3-phenyl-5-phenylsulfanyl-pyrazol-4-yl)hept-2-yn-1-ol

Systemtic Name: (1R)-1-(1-methyl-3-phenyl-5-phenylsulfanyl-pyrazol-4-yl)hept-2-yn-1-ol Openeye Name: (1R)-1-(1-methyl-3-phenyl-5-phenylsulfanyl-pyrazol-4-yl)hept-2-yn-1-ol CAS Name: (1R)-1-[1-methyl-3-phenyl-5-(phenylthio)-4-pyrazolyl]-2-heptyn-1-ol IUPAC Name: (1R)-1-(1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)hept-2-yn-1-ol Traditional Name: (1R)-1-[1-methyl-3-phenyl-5-(phenylthio)pyrazol-4-yl]hept-2-yn-1-ol Formula: C23H24N2OS MolecularWeight: 376.51446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2OS/c1-3-4-5-12-17-20(26)21-22(18-13-8-6-9-14-18)24-25(2)23(21)27-19-15-10-7-11-16-19/h6-11,13-16,20,26H,3-5H2,1-2H3/t20-/m1/s1