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

Systemtic Name: 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)butan-1-one Openeye Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)butan-1-one CAS Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-bromophenyl)-1-butanone IUPAC Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)butan-1-one Traditional Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-bromophenyl)butan-1-one Formula: C12H13BrN4OS MolecularWeight: 341.22682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCSC2=NNC(=N2)N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCSC2=NNC(=N2)N)Br

InChI

InChI=1S/C12H13BrN4OS/c13-9-5-3-8(4-6-9)10(18)2-1-7-19-12-15-11(14)16-17-12/h3-6H,1-2,7H2,(H3,14,15,16,17)