1-(4-bromophenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(4-bromophenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-bromophenyl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-bromophenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-bromophenyl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C17H16BrN3OS2 MolecularWeight: 422.36244

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)C2=CC=C(C=C2)Br)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)C2=CC=C(C=C2)Br)C3=CC=CS3

InChI

InChI=1S/C17H16BrN3OS2/c1-3-21-16(14-5-4-10-23-14)19-20-17(21)24-11(2)15(22)12-6-8-13(18)9-7-12/h4-11H,3H2,1-2H3