2-[[4-(4-phenoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(4-phenoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 2-[[4-(4-phenoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-(4-phenoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole IUPAC Name: 2-[[4-(4-phenoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Traditional Name: 2-[[4-(4-phenoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C25H16N4OS3 MolecularWeight: 484.61574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=NN=C3SC4=NC5=CC=CC=C5S4)C6=CC=CS6

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=NN=C3SC4=NC5=CC=CC=C5S4)C6=CC=CS6

InChI

InChI=1S/C25H16N4OS3/c1-2-7-18(8-3-1)30-19-14-12-17(13-15-19)29-23(22-11-6-16-31-22)27-28-24(29)33-25-26-20-9-4-5-10-21(20)32-25/h1-16H