3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-cyclopropyl-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-cyclopropyl-1,2,4-triazole Traditional Name: 4-benzyl-3-(2-brosylethylthio)-5-cyclopropyl-1,2,4-triazole Formula: C20H20BrN3O2S2 MolecularWeight: 478.4257

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCCS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCCS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H20BrN3O2S2/c21-17-8-10-18(11-9-17)28(25,26)13-12-27-20-23-22-19(16-6-7-16)24(20)14-15-4-2-1-3-5-15/h1-5,8-11,16H,6-7,12-14H2