1-(4-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one

Systemtic Name: 1-(4-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Openeye Name: 1-(4-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one CAS Name: 1-(4-bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Traditional Name: 1-(4-bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)propan-1-one Formula: C11H10BrN3OS MolecularWeight: 312.1856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NC=NN2

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NC=NN2

InChI

InChI=1S/C11H10BrN3OS/c1-7(17-11-13-6-14-15-11)10(16)8-2-4-9(12)5-3-8/h2-7H,1H3,(H,13,14,15)