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

Systemtic Name: 2-chloranyl-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid Openeye Name: 2-chloro-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid CAS Name: 2-chloro-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid IUPAC Name: 2-chloro-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid Traditional Name: 2-chloro-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)benzoic acid Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O2S/c1-20-16(18-11-5-3-2-4-6-11)23-14(19-20)10-7-8-12(15(21)22)13(17)9-10/h7-9,11H,2-6H2,1H3,(H,21,22)