1-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C14H16BrN3OS MolecularWeight: 354.26534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H16BrN3OS/c1-14(2,3)11(19)8-20-13-16-12(17-18-13)9-4-6-10(15)7-5-9/h4-7H,8H2,1-3H3,(H,16,17,18)