2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C21H16N4OS3 MolecularWeight: 436.57294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C5=CC=CS5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C5=CC=CS5

InChI

InChI=1S/C21H16N4OS3/c1-26-15-10-8-14(9-11-15)25-20(18-7-4-12-27-18)23-24-21(25)28-13-19-22-16-5-2-3-6-17(16)29-19/h2-12H,13H2,1H3