ethyl 3-[[5-[(3-nitropyridin-2-yl)amino]-1H-pyrazol-3-yl]sulfanyl]benzoate

Systemtic Name: ethyl 3-[[5-[(3-nitropyridin-2-yl)amino]-1H-pyrazol-3-yl]sulfanyl]benzoate Openeye Name: ethyl 3-[[5-[(3-nitro-2-pyridyl)amino]-1H-pyrazol-3-yl]sulfanyl]benzoate CAS Name: 3-[[5-[(3-nitro-2-pyridinyl)amino]-1H-pyrazol-3-yl]thio]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-[(3-nitropyridin-2-yl)amino]-1H-pyrazol-3-yl]sulfanyl]benzoate Traditional Name: 3-[[5-[(3-nitro-2-pyridyl)amino]-1H-pyrazol-3-yl]thio]benzoic acid ethyl ester Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)SC2=NNC(=C2)NC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)SC2=NNC(=C2)NC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4S/c1-2-26-17(23)11-5-3-6-12(9-11)27-15-10-14(20-21-15)19-16-13(22(24)25)7-4-8-18-16/h3-10H,2H2,1H3,(H2,18,19,20,21)