2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C24H20N4O2S2 MolecularWeight: 460.5712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5)OC

InChI

InChI=1S/C24H20N4O2S2/c1-29-19-13-12-17(14-20(19)30-2)28-23(16-8-4-3-5-9-16)26-27-24(28)31-15-22-25-18-10-6-7-11-21(18)32-22/h3-14H,15H2,1-2H3