2-(1,3-benzothiazol-2-ylsulfanyl)-1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[3,5-bis(4-methoxyphenyl)-2-pyrazolin-1-yl]ethanone Formula: C26H23N3O3S2 MolecularWeight: 489.60912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H23N3O3S2/c1-31-19-11-7-17(8-12-19)22-15-23(18-9-13-20(32-2)14-10-18)29(28-22)25(30)16-33-26-27-21-5-3-4-6-24(21)34-26/h3-14,23H,15-16H2,1-2H3