(E)-1-(4-bromanylthiophen-2-yl)-5,5-dimethyl-4-oxidanyl-4-(1,2,4-triazol-1-ylmethyl)hex-1-en-3-one

Systemtic Name: (E)-1-(4-bromanylthiophen-2-yl)-5,5-dimethyl-4-oxidanyl-4-(1,2,4-triazol-1-ylmethyl)hex-1-en-3-one Openeye Name: (E)-1-(4-bromo-2-thienyl)-4-hydroxy-5,5-dimethyl-4-(1,2,4-triazol-1-ylmethyl)hex-1-en-3-one CAS Name: (E)-1-(4-bromo-2-thiophenyl)-4-hydroxy-5,5-dimethyl-4-(1,2,4-triazol-1-ylmethyl)-1-hexen-3-one IUPAC Name: (E)-1-(4-bromothiophen-2-yl)-4-hydroxy-5,5-dimethyl-4-(1,2,4-triazol-1-ylmethyl)hex-1-en-3-one Traditional Name: (E)-1-(4-bromo-2-thienyl)-4-hydroxy-5,5-dimethyl-4-(1,2,4-triazol-1-ylmethyl)hex-1-en-3-one Formula: C15H18BrN3O2S MolecularWeight: 384.29132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=NC=N1)(C(=O)C=CC2=CC(=CS2)Br)O

Isomeric SMILES

CC(C)(C)C(CN1C=NC=N1)(C(=O)/C=C/C2=CC(=CS2)Br)O

InChI

InChI=1S/C15H18BrN3O2S/c1-14(2,3)15(21,8-19-10-17-9-18-19)13(20)5-4-12-6-11(16)7-22-12/h4-7,9-10,21H,8H2,1-3H3/b5-4+