3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-(5-methyl-4-phenyl-thiophen-3-yl)-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-(5-methyl-4-phenyl-thiophen-3-yl)-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-(5-methyl-4-phenyl-3-thienyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-ethyl-5-(5-methyl-4-phenyl-3-thiophenyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-(5-methyl-4-phenylthiophen-3-yl)-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4-ethyl-5-(5-methyl-4-phenyl-3-thienyl)-1,2,4-triazole Formula: C22H20BrN3S2 MolecularWeight: 470.4483

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CSC(=C3C4=CC=CC=C4)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CSC(=C3C4=CC=CC=C4)C

InChI

InChI=1S/C22H20BrN3S2/c1-3-26-21(19-14-27-15(2)20(19)17-9-5-4-6-10-17)24-25-22(26)28-13-16-8-7-11-18(23)12-16/h4-12,14H,3,13H2,1-2H3