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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C15H17BrN4OS MolecularWeight: 381.29068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN4OS/c1-19-14(11-4-6-12(16)7-5-11)17-18-15(19)22-10-13(21)20-8-2-3-9-20/h4-7H,2-3,8-10H2,1H3