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

Systemtic Name: (1S)-1-[1-methyl-5-(4-methylphenyl)sulfanyl-3-phenyl-pyrazol-4-yl]-3-phenyl-prop-2-yn-1-ol Openeye Name: (1S)-1-[1-methyl-3-phenyl-5-(p-tolylsulfanyl)pyrazol-4-yl]-3-phenyl-prop-2-yn-1-ol CAS Name: (1S)-1-[1-methyl-5-[(4-methylphenyl)thio]-3-phenyl-4-pyrazolyl]-3-phenyl-2-propyn-1-ol IUPAC Name: (1S)-1-[1-methyl-5-(4-methylphenyl)sulfanyl-3-phenylpyrazol-4-yl]-3-phenylprop-2-yn-1-ol Traditional Name: (1S)-1-[1-methyl-3-phenyl-5-(p-tolylthio)pyrazol-4-yl]-3-phenyl-prop-2-yn-1-ol Formula: C26H22N2OS MolecularWeight: 410.53068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=NN2C)C3=CC=CC=C3)C(C#CC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=NN2C)C3=CC=CC=C3)[C@H](C#CC4=CC=CC=C4)O

InChI

InChI=1S/C26H22N2OS/c1-19-13-16-22(17-14-19)30-26-24(23(29)18-15-20-9-5-3-6-10-20)25(27-28(26)2)21-11-7-4-8-12-21/h3-14,16-17,23,29H,1-2H3/t23-/m0/s1