2-[[5-[(2-chloranylphenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanol

Systemtic Name: 2-[[5-[(2-chloranylphenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanol Openeye Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanol CAS Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]thio]-1-phenylethanol IUPAC Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanol Traditional Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanol Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=NN=C1SCC(C2=CC=CC=C2)O)COC3=CC=CC=C3Cl

Isomeric SMILES

CCC(CC)N1C(=NN=C1SCC(C2=CC=CC=C2)O)COC3=CC=CC=C3Cl

InChI

InChI=1S/C22H26ClN3O2S/c1-3-17(4-2)26-21(14-28-20-13-9-8-12-18(20)23)24-25-22(26)29-15-19(27)16-10-6-5-7-11-16/h5-13,17,19,27H,3-4,14-15H2,1-2H3