2-[[5-(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(3-chloro-6-methoxy-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(3-chloro-6-methoxy-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C25H18ClN3O2S2 MolecularWeight: 492.01232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=CC=C5)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=CC=C5)Cl

InChI

InChI=1S/C25H18ClN3O2S2/c1-31-18-12-13-19-21(14-18)33-23(22(19)26)24-27-28-25(29(24)17-10-6-3-7-11-17)32-15-20(30)16-8-4-2-5-9-16/h2-14H,15H2,1H3