2-[4-[(2,5-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-[(2,5-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[(2,5-dimethoxyphenyl)-[1-(2-thienylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[(2,5-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]methyl]-1-piperazinyl]-1,3-benzothiazole IUPAC Name: 2-[4-[(2,5-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-[(2,5-dimethoxyphenyl)-[1-(2-thenyl)tetrazol-5-yl]methyl]piperazino]-1,3-benzothiazole Formula: C26H27N7O2S2 MolecularWeight: 533.66828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=NN=NN2CC3=CC=CS3)N4CCN(CC4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=NN=NN2CC3=CC=CS3)N4CCN(CC4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H27N7O2S2/c1-34-18-9-10-22(35-2)20(16-18)24(25-28-29-30-33(25)17-19-6-5-15-36-19)31-11-13-32(14-12-31)26-27-21-7-3-4-8-23(21)37-26/h3-10,15-16,24H,11-14,17H2,1-2H3