(1S,2S)-2-(benzotriazol-1-yl)-1-(1-methylindol-3-yl)-2-methylsulfanyl-1-phenyl-ethanol

Systemtic Name: (1S,2S)-2-(benzotriazol-1-yl)-1-(1-methylindol-3-yl)-2-methylsulfanyl-1-phenyl-ethanol Openeye Name: (1S,2S)-2-(benzotriazol-1-yl)-1-(1-methylindol-3-yl)-2-methylsulfanyl-1-phenyl-ethanol CAS Name: (1S,2S)-2-(1-benzotriazolyl)-1-(1-methyl-3-indolyl)-2-(methylthio)-1-phenylethanol IUPAC Name: (1S,2S)-2-(benzotriazol-1-yl)-1-(1-methylindol-3-yl)-2-methylsulfanyl-1-phenylethanol Traditional Name: (1S,2S)-2-(benzotriazol-1-yl)-1-(1-methylindol-3-yl)-2-(methylthio)-1-phenyl-ethanol Formula: C24H22N4OS MolecularWeight: 414.52268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(C3=CC=CC=C3)(C(N4C5=CC=CC=C5N=N4)SC)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)[C@@](C3=CC=CC=C3)([C@@H](N4C5=CC=CC=C5N=N4)SC)O

InChI

InChI=1S/C24H22N4OS/c1-27-16-19(18-12-6-8-14-21(18)27)24(29,17-10-4-3-5-11-17)23(30-2)28-22-15-9-7-13-20(22)25-26-28/h3-16,23,29H,1-2H3/t23-,24-/m0/s1