1-(3-bromophenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3-bromophenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3-bromophenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3-bromophenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3-bromophenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3-bromophenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C14H10BrN3OS2 MolecularWeight: 380.2827

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C14H10BrN3OS2/c15-10-4-1-3-9(7-10)11(19)8-21-14-16-13(17-18-14)12-5-2-6-20-12/h1-7H,8H2,(H,16,17,18)