3-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid

Systemtic Name: 3-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid Openeye Name: 3-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid CAS Name: 3-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid IUPAC Name: 3-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid Traditional Name: 3-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2CCCCC2)SC(=N1)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CN1C(=NC2CCCCC2)SC(=N1)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C16H19N3O2S/c1-19-16(17-13-8-3-2-4-9-13)22-14(18-19)11-6-5-7-12(10-11)15(20)21/h5-7,10,13H,2-4,8-9H2,1H3,(H,20,21)