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

Systemtic Name: 2-[(4-cyclohexyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Openeye Name: 2-[[4-cyclohexyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole CAS Name: 2-[(4-cyclohexyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-6-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-[(4-cyclohexyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Traditional Name: 2-[[4-cyclohexyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-6-mesyl-1,3-benzothiazole Formula: C20H20N4O2S4 MolecularWeight: 476.6584

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=C(N3C4CCCCC4)C5=CC=CS5

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=C(N3C4CCCCC4)C5=CC=CS5

InChI

InChI=1S/C20H20N4O2S4/c1-30(25,26)14-9-10-15-17(12-14)28-20(21-15)29-19-23-22-18(16-8-5-11-27-16)24(19)13-6-3-2-4-7-13/h5,8-13H,2-4,6-7H2,1H3