2-[[5-(4-bromanylthiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[5-(4-bromanylthiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(4-bromo-2-thienyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(4-bromo-2-thiophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(4-bromothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-(4-bromo-2-thienyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C13H15BrN4OS2 MolecularWeight: 387.3184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC(=CS3)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC(=CS3)Br

InChI

InChI=1S/C13H15BrN4OS2/c1-17-12(10-6-9(14)7-20-10)15-16-13(17)21-8-11(19)18-4-2-3-5-18/h6-7H,2-5,8H2,1H3