3-[2-(5-azanyl-4-cyano-pyrazol-1-yl)phenyl]azanidylsulfonylbenzoate

Systemtic Name: 3-[2-(5-azanyl-4-cyano-pyrazol-1-yl)phenyl]azanidylsulfonylbenzoate Openeye Name: 3-[2-(5-amino-4-cyano-pyrazol-1-yl)phenyl]azanidylsulfonylbenzoate CAS Name: 3-[2-(5-amino-4-cyano-1-pyrazolyl)phenyl]azanidylsulfonylbenzoate IUPAC Name: 3-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]azanidylsulfonylbenzoate Traditional Name: 3-[2-(5-amino-4-cyano-pyrazol-1-yl)phenyl]azanidylsulfonylbenzoate Formula: C17H11N5O4S-2 MolecularWeight: 381.36534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N-]S(=O)(=O)C2=CC=CC(=C2)C(=O)[O-])N3C(=C(C=N3)C#N)N

Isomeric SMILES

C1=CC=C(C(=C1)[N-]S(=O)(=O)C2=CC=CC(=C2)C(=O)[O-])N3C(=C(C=N3)C#N)N

InChI

InChI=1S/C17H12N5O4S/c18-9-12-10-20-22(16(12)19)15-7-2-1-6-14(15)21-27(25,26)13-5-3-4-11(8-13)17(23)24/h1-8,10H,(H2,19,20)(H,23,24)/q-1/p-1