(1S)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanol

Systemtic Name: (1S)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanol Openeye Name: (1S)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanol CAS Name: (1S)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenylethanol IUPAC Name: (1S)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanol Traditional Name: (1S)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanol Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SC[C@H](C4=CC=CC=C4)O

InChI

InChI=1S/C23H21N3O2S/c1-28-20-14-12-18(13-15-20)22-24-25-23(26(22)19-10-6-3-7-11-19)29-16-21(27)17-8-4-2-5-9-17/h2-15,21,27H,16H2,1H3/t21-/m1/s1