3-[5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[2-(4-bromophenyl)sulfonylethylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-(2-brosylethylthio)-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Formula: C18H17BrN4O2S2 MolecularWeight: 465.38718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4O2S2/c19-14-3-7-16(8-4-14)27(24,25)11-10-26-18-22-21-17(23(18)15-5-6-15)13-2-1-9-20-12-13/h1-4,7-9,12,15H,5-6,10-11H2