1-(4-chlorophenyl)-3,3-dimethyl-2-oxidanyl-2-(1,2,4-triazol-1-ylmethyl)butane-1-thione

Systemtic Name: 1-(4-chlorophenyl)-3,3-dimethyl-2-oxidanyl-2-(1,2,4-triazol-1-ylmethyl)butane-1-thione Openeye Name: 1-(4-chlorophenyl)-2-hydroxy-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butane-1-thione CAS Name: 1-(4-chlorophenyl)-2-hydroxy-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)-1-butanethione IUPAC Name: 1-(4-chlorophenyl)-2-hydroxy-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butane-1-thione Traditional Name: 1-(4-chlorophenyl)-2-hydroxy-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butane-1-thione Formula: C15H18ClN3OS MolecularWeight: 323.84092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=NC=N1)(C(=S)C2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C)(C)C(CN1C=NC=N1)(C(=S)C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C15H18ClN3OS/c1-14(2,3)15(20,8-19-10-17-9-18-19)13(21)11-4-6-12(16)7-5-11/h4-7,9-10,20H,8H2,1-3H3