3-[[3-methyl-5-(4-methylsulfonylphenyl)-1,3,4-thiadiazol-2-ylidene]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 3-[[3-methyl-5-(4-methylsulfonylphenyl)-1,3,4-thiadiazol-2-ylidene]amino]cyclohexane-1-carboxylic acid Openeye Name: 3-[[3-methyl-5-(4-methylsulfonylphenyl)-1,3,4-thiadiazol-2-ylidene]amino]cyclohexanecarboxylic acid CAS Name: 3-[[3-methyl-5-(4-methylsulfonylphenyl)-1,3,4-thiadiazol-2-ylidene]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 3-[[3-methyl-5-(4-methylsulfonylphenyl)-1,3,4-thiadiazol-2-ylidene]amino]cyclohexane-1-carboxylic acid Traditional Name: 3-[[5-(4-mesylphenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]cyclohexanecarboxylic acid Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2CCCC(C2)C(=O)O)SC(=N1)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NC2CCCC(C2)C(=O)O)SC(=N1)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H21N3O4S2/c1-20-17(18-13-5-3-4-12(10-13)16(21)22)25-15(19-20)11-6-8-14(9-7-11)26(2,23)24/h6-9,12-13H,3-5,10H2,1-2H3,(H,21,22)