4-(2-azanyl-1,3-thiazol-4-yl)benzenecarbonitrile; 4-chloranyl-2-fluoranyl-benzenesulfonic acid

Systemtic Name: 4-(2-azanyl-1,3-thiazol-4-yl)benzenecarbonitrile; 4-chloranyl-2-fluoranyl-benzenesulfonic acid Openeye Name: 4-(2-aminothiazol-4-yl)benzonitrile; 4-chloro-2-fluoro-benzenesulfonic acid CAS Name: 4-(2-amino-4-thiazolyl)benzonitrile; 4-chloro-2-fluorobenzenesulfonic acid IUPAC Name: 4-(2-amino-1,3-thiazol-4-yl)benzonitrile; 4-chloro-2-fluorobenzenesulfonic acid Traditional Name: 4-(2-aminothiazol-4-yl)benzonitrile; 4-chloro-2-fluoro-besylic acid Formula: C16H11ClFN3O3S2 MolecularWeight: 411.858243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CSC(=N2)N.C1=CC(=C(C=C1Cl)F)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CSC(=N2)N.C1=CC(=C(C=C1Cl)F)S(=O)(=O)O

InChI

InChI=1S/C10H7N3S.C6H4ClFO3S/c11-5-7-1-3-8(4-2-7)9-6-14-10(12)13-9;7-4-1-2-6(5(8)3-4)12(9,10)11/h1-4,6H,(H2,12,13);1-3H,(H,9,10,11)