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

Systemtic Name: (1R)-1-[1-methyl-5-(4-methylphenyl)sulfanyl-3-phenyl-pyrazol-4-yl]hept-2-yn-1-ol Openeye Name: (1R)-1-[1-methyl-3-phenyl-5-(p-tolylsulfanyl)pyrazol-4-yl]hept-2-yn-1-ol CAS Name: (1R)-1-[1-methyl-5-[(4-methylphenyl)thio]-3-phenyl-4-pyrazolyl]-2-heptyn-1-ol IUPAC Name: (1R)-1-[1-methyl-5-(4-methylphenyl)sulfanyl-3-phenylpyrazol-4-yl]hept-2-yn-1-ol Traditional Name: (1R)-1-[1-methyl-3-phenyl-5-(p-tolylthio)pyrazol-4-yl]hept-2-yn-1-ol Formula: C24H26N2OS MolecularWeight: 390.54104

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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)C)O

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2OS/c1-4-5-6-10-13-21(27)22-23(19-11-8-7-9-12-19)25-26(3)24(22)28-20-16-14-18(2)15-17-20/h7-9,11-12,14-17,21,27H,4-6H2,1-3H3/t21-/m1/s1