3-(4-chlorophenyl)-5-methyl-1-(1,3,4-thiadiazol-2-ylamino)cyclohexane-1-carboxylic acid

Systemtic Name: 3-(4-chlorophenyl)-5-methyl-1-(1,3,4-thiadiazol-2-ylamino)cyclohexane-1-carboxylic acid Openeye Name: 3-(4-chlorophenyl)-5-methyl-1-(1,3,4-thiadiazol-2-ylamino)cyclohexanecarboxylic acid CAS Name: 3-(4-chlorophenyl)-5-methyl-1-(1,3,4-thiadiazol-2-ylamino)-1-cyclohexanecarboxylic acid IUPAC Name: 3-(4-chlorophenyl)-5-methyl-1-(1,3,4-thiadiazol-2-ylamino)cyclohexane-1-carboxylic acid Traditional Name: 3-(4-chlorophenyl)-5-methyl-1-(1,3,4-thiadiazol-2-ylamino)cyclohexanecarboxylic acid Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C(=O)O)NC2=NN=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1CC(CC(C1)(C(=O)O)NC2=NN=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H18ClN3O2S/c1-10-6-12(11-2-4-13(17)5-3-11)8-16(7-10,14(21)22)19-15-20-18-9-23-15/h2-5,9-10,12H,6-8H2,1H3,(H,19,20)(H,21,22)