4-(5-azanyl-4-cyano-pyrazol-1-yl)-2,5-bis(chloranyl)benzenesulfonic acid

Systemtic Name: 4-(5-azanyl-4-cyano-pyrazol-1-yl)-2,5-bis(chloranyl)benzenesulfonic acid Openeye Name: 4-(5-amino-4-cyano-pyrazol-1-yl)-2,5-dichloro-benzenesulfonic acid CAS Name: 4-(5-amino-4-cyano-1-pyrazolyl)-2,5-dichlorobenzenesulfonic acid IUPAC Name: 4-(5-amino-4-cyanopyrazol-1-yl)-2,5-dichlorobenzenesulfonic acid Traditional Name: 4-(5-amino-4-cyano-pyrazol-1-yl)-2,5-dichloro-besylic acid Formula: C10H6Cl2N4O3S MolecularWeight: 333.15064

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)S(=O)(=O)O)Cl)N2C(=C(C=N2)C#N)N

Isomeric SMILES

C1=C(C(=CC(=C1Cl)S(=O)(=O)O)Cl)N2C(=C(C=N2)C#N)N

InChI

InChI=1S/C10H6Cl2N4O3S/c11-6-2-9(20(17,18)19)7(12)1-8(6)16-10(14)5(3-13)4-15-16/h1-2,4H,14H2,(H,17,18,19)