3-[[5-(4-bromophenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]propane-1-thiol

Systemtic Name: 3-[[5-(4-bromophenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]propane-1-thiol Openeye Name: 3-[[5-(4-bromophenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]propane-1-thiol CAS Name: 3-[[5-(4-bromophenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]-1-propanethiol IUPAC Name: 3-[[5-(4-bromophenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]propane-1-thiol Traditional Name: 3-[[5-(4-bromophenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]propane-1-thiol Formula: C14H14BrN5S2 MolecularWeight: 396.32846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=NN2)SCCCS)N3C=NC=N3)Br

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=NN2)SCCCS)N3C=NC=N3)Br

InChI

InChI=1S/C14H14BrN5S2/c15-11-4-2-10(3-5-11)12-13(20-9-16-8-17-20)14(19-18-12)22-7-1-6-21/h2-5,8-9,21H,1,6-7H2,(H,18,19)