(1S)-1-(1-methyl-3-phenyl-5-phenylsulfanyl-pyrazol-4-yl)-3-phenyl-prop-2-yn-1-ol

Systemtic Name: (1S)-1-(1-methyl-3-phenyl-5-phenylsulfanyl-pyrazol-4-yl)-3-phenyl-prop-2-yn-1-ol Openeye Name: (1S)-1-(1-methyl-3-phenyl-5-phenylsulfanyl-pyrazol-4-yl)-3-phenyl-prop-2-yn-1-ol CAS Name: (1S)-1-[1-methyl-3-phenyl-5-(phenylthio)-4-pyrazolyl]-3-phenyl-2-propyn-1-ol IUPAC Name: (1S)-1-(1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)-3-phenylprop-2-yn-1-ol Traditional Name: (1S)-1-[1-methyl-3-phenyl-5-(phenylthio)pyrazol-4-yl]-3-phenyl-prop-2-yn-1-ol Formula: C25H20N2OS MolecularWeight: 396.5041

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)C(C#CC3=CC=CC=C3)O)SC4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)[C@H](C#CC3=CC=CC=C3)O)SC4=CC=CC=C4

InChI

InChI=1S/C25H20N2OS/c1-27-25(29-21-15-9-4-10-16-21)23(24(26-27)20-13-7-3-8-14-20)22(28)18-17-19-11-5-2-6-12-19/h2-16,22,28H,1H3/t22-/m0/s1