4-(4-chloranylphenoxy)-3,3-dimethyl-1-methylsulfanyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol

Systemtic Name: 4-(4-chloranylphenoxy)-3,3-dimethyl-1-methylsulfanyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol Openeye Name: 4-(4-chlorophenoxy)-3,3-dimethyl-1-methylsulfanyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol CAS Name: 4-(4-chlorophenoxy)-3,3-dimethyl-1-(methylthio)-2-(1,2,4-triazol-1-ylmethyl)-2-butanol IUPAC Name: 4-(4-chlorophenoxy)-3,3-dimethyl-1-methylsulfanyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol Traditional Name: 4-(4-chlorophenoxy)-3,3-dimethyl-1-(methylthio)-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol Formula: C16H22ClN3O2S MolecularWeight: 355.88278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=CC=C(C=C1)Cl)C(CN2C=NC=N2)(CSC)O

Isomeric SMILES

CC(C)(COC1=CC=C(C=C1)Cl)C(CN2C=NC=N2)(CSC)O

InChI

InChI=1S/C16H22ClN3O2S/c1-15(2,9-22-14-6-4-13(17)5-7-14)16(21,10-23-3)8-20-12-18-11-19-20/h4-7,11-12,21H,8-10H2,1-3H3