1-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(2,6-dimethylphenoxy)propan-2-ol

Systemtic Name: 1-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(2,6-dimethylphenoxy)propan-2-ol Openeye Name: 1-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(2,6-dimethylphenoxy)propan-2-ol CAS Name: 1-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-3-(2,6-dimethylphenoxy)-2-propanol IUPAC Name: 1-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(2,6-dimethylphenoxy)propan-2-ol Traditional Name: 1-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-3-(2,6-dimethylphenoxy)propan-2-ol Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(CSC2=NNC(=N2)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(CSC2=NNC(=N2)C(C)(C)C)O

InChI

InChI=1S/C17H25N3O2S/c1-11-7-6-8-12(2)14(11)22-9-13(21)10-23-16-18-15(19-20-16)17(3,4)5/h6-8,13,21H,9-10H2,1-5H3,(H,18,19,20)