(4E)-1-(4-bromophenyl)sulfanyl-4-methoxyimino-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol

Systemtic Name: (4E)-1-(4-bromophenyl)sulfanyl-4-methoxyimino-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol Openeye Name: (4E)-1-(4-bromophenyl)sulfanyl-4-methoxyimino-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol CAS Name: (4E)-1-[(4-bromophenyl)thio]-4-methoxyimino-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)-2-butanol IUPAC Name: (4E)-1-(4-bromophenyl)sulfanyl-4-methoxyimino-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol Traditional Name: (4E)-1-[(4-bromophenyl)thio]-3,3-dimethyl-4-methyloximino-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol Formula: C16H21BrN4O2S MolecularWeight: 413.33254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=NOC)C(CN1C=NC=N1)(CSC2=CC=C(C=C2)Br)O

Isomeric SMILES

CC(C)(/C=N/OC)C(CN1C=NC=N1)(CSC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C16H21BrN4O2S/c1-15(2,8-20-23-3)16(22,9-21-12-18-11-19-21)10-24-14-6-4-13(17)5-7-14/h4-8,11-12,22H,9-10H2,1-3H3/b20-8+