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

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-cyclopropyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-cyclopropyl-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-5-cyclopropyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-cyclopropyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(2-brosylethylthio)-5-cyclopropyl-1,2,4-triazole Formula: C16H18BrN3O2S2 MolecularWeight: 428.36702

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Br)C3CC3

Isomeric SMILES

C=CCN1C(=NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Br)C3CC3

InChI

InChI=1S/C16H18BrN3O2S2/c1-2-9-20-15(12-3-4-12)18-19-16(20)23-10-11-24(21,22)14-7-5-13(17)6-8-14/h2,5-8,12H,1,3-4,9-11H2