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

Systemtic Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-nitro-benzoic acid Openeye Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-nitro-benzoic acid CAS Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzoic acid IUPAC Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzoic acid Traditional Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-nitro-benzoic acid Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2CCCCC2)SC(=N1)C3=CC(=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NC2CCCCC2)SC(=N1)C3=CC(=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c1-19-16(17-11-5-3-2-4-6-11)25-14(18-19)10-7-8-12(15(21)22)13(9-10)20(23)24/h7-9,11H,2-6H2,1H3,(H,21,22)