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

Systemtic Name: 2-[[5-(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-allyl-5-(3-chloro-6-methoxy-benzothiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-allyl-5-(3-chloro-6-methoxy-benzothiophen-2-yl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H18ClN3O2S2 MolecularWeight: 455.98022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C3=NN=C(N3CC=C)SCC(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C3=NN=C(N3CC=C)SCC(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H18ClN3O2S2/c1-3-11-26-21(20-19(23)16-10-9-15(28-2)12-18(16)30-20)24-25-22(26)29-13-17(27)14-7-5-4-6-8-14/h3-10,12H,1,11,13H2,2H3