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

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclohexyl-5-(2-furyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-4-cyclohexyl-5-(2-furanyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazole Traditional Name: 3-(2-brosylethylthio)-4-cyclohexyl-5-(2-furyl)-1,2,4-triazole Formula: C20H22BrN3O3S2 MolecularWeight: 496.44098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCCS(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CO4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCCS(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CO4

InChI

InChI=1S/C20H22BrN3O3S2/c21-15-8-10-17(11-9-15)29(25,26)14-13-28-20-23-22-19(18-7-4-12-27-18)24(20)16-5-2-1-3-6-16/h4,7-12,16H,1-3,5-6,13-14H2