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

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-(2-brosylethylthio)-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole Formula: C17H16BrN3O2S3 MolecularWeight: 470.42684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCCS(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCCS(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CS4

InChI

InChI=1S/C17H16BrN3O2S3/c18-12-3-7-14(8-4-12)26(22,23)11-10-25-17-20-19-16(15-2-1-9-24-15)21(17)13-5-6-13/h1-4,7-9,13H,5-6,10-11H2