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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole CAS Name: 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-6-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Traditional Name: 6-mesyl-2-[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1,3-benzothiazole Formula: C21H16N4O3S4 MolecularWeight: 500.63674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C5=CC=CS5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C5=CC=CS5

InChI

InChI=1S/C21H16N4O3S4/c1-28-14-7-5-13(6-8-14)25-19(17-4-3-11-29-17)23-24-20(25)31-21-22-16-10-9-15(32(2,26)27)12-18(16)30-21/h3-12H,1-2H3