3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-(2-furylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-4-(2-furanylmethyl)-5-(1-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazole Traditional Name: 3-(2-brosylethylthio)-4-(2-furfuryl)-5-pyrrolidino-1,2,4-triazole Formula: C19H21BrN4O3S2 MolecularWeight: 497.42904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2CC3=CC=CO3)SCCS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2CC3=CC=CO3)SCCS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H21BrN4O3S2/c20-15-5-7-17(8-6-15)29(25,26)13-12-28-19-22-21-18(23-9-1-2-10-23)24(19)14-16-4-3-11-27-16/h3-8,11H,1-2,9-10,12-14H2