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

Systemtic Name: 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thienyl)ethanone CAS Name: 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone IUPAC Name: 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-ylethanone Traditional Name: 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)ethanone Formula: C20H14BrN3OS2 MolecularWeight: 456.37866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)C4=CC=CS4

InChI

InChI=1S/C20H14BrN3OS2/c21-15-8-10-16(11-9-15)24-19(14-5-2-1-3-6-14)22-23-20(24)27-13-17(25)18-7-4-12-26-18/h1-12H,13H2