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

Systemtic Name: 6-methylsulfonyl-2-[[4-(4-phenoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Openeye Name: 6-methylsulfonyl-2-[[4-(4-phenoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole CAS Name: 6-methylsulfonyl-2-[[4-(4-phenoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole IUPAC Name: 6-methylsulfonyl-2-[[4-(4-phenoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-benzothiazole Traditional Name: 6-mesyl-2-[[4-(4-phenoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C26H18N4O3S4 MolecularWeight: 562.70612

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=C(N3C4=CC=C(C=C4)OC5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=C(N3C4=CC=C(C=C4)OC5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C26H18N4O3S4/c1-37(31,32)20-13-14-21-23(16-20)35-26(27-21)36-25-29-28-24(22-8-5-15-34-22)30(25)17-9-11-19(12-10-17)33-18-6-3-2-4-7-18/h2-16H,1H3