3-[(5-cyclohexyl-3-methyl-1,3,4-thiadiazol-2-ylidene)amino]benzoic acid

Systemtic Name: 3-[(5-cyclohexyl-3-methyl-1,3,4-thiadiazol-2-ylidene)amino]benzoic acid Openeye Name: 3-[(5-cyclohexyl-3-methyl-1,3,4-thiadiazol-2-ylidene)amino]benzoic acid CAS Name: 3-[(5-cyclohexyl-3-methyl-1,3,4-thiadiazol-2-ylidene)amino]benzoic acid IUPAC Name: 3-[(5-cyclohexyl-3-methyl-1,3,4-thiadiazol-2-ylidene)amino]benzoic acid Traditional Name: 3-[(5-cyclohexyl-3-methyl-1,3,4-thiadiazol-2-ylidene)amino]benzoic acid Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC(=C2)C(=O)O)SC(=N1)C3CCCCC3

Isomeric SMILES

CN1C(=NC2=CC=CC(=C2)C(=O)O)SC(=N1)C3CCCCC3

InChI

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