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

Systemtic Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Openeye Name: 2-[[4-(4-tert-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole CAS Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-6-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-[[4-(4-tert-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Traditional Name: 2-[[4-(4-tert-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-6-mesyl-1,3-benzothiazole Formula: C24H22N4O2S4 MolecularWeight: 526.71708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O2S4/c1-24(2,3)15-7-9-16(10-8-15)28-21(19-6-5-13-31-19)26-27-22(28)33-23-25-18-12-11-17(34(4,29)30)14-20(18)32-23/h5-14H,1-4H3