2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C19H18BrN5O2S2 MolecularWeight: 492.41252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br)C(=O)C4=CC=CS4

InChI

InChI=1S/C19H18BrN5O2S2/c20-14-5-2-1-4-13(14)17-21-19(23-22-17)29-12-16(26)24-7-9-25(10-8-24)18(27)15-6-3-11-28-15/h1-6,11H,7-10,12H2,(H,21,22,23)