ethyl 4-[3-azanyl-4-(4-nitrophenyl)sulfanyl-5-oxidanylidene-4H-pyrazol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-azanyl-4-(4-nitrophenyl)sulfanyl-5-oxidanylidene-4H-pyrazol-1-yl]benzoate Openeye Name: ethyl 4-[3-amino-4-(4-nitrophenyl)sulfanyl-5-oxo-4H-pyrazol-1-yl]benzoate CAS Name: 4-[3-amino-4-[(4-nitrophenyl)thio]-5-oxo-4H-pyrazol-1-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-amino-4-(4-nitrophenyl)sulfanyl-5-oxo-4H-pyrazol-1-yl]benzoate Traditional Name: 4-[3-amino-5-keto-4-[(4-nitrophenyl)thio]-2-pyrazolin-1-yl]benzoic acid ethyl ester Formula: C18H16N4O5S MolecularWeight: 400.40844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c1-2-27-18(24)11-3-5-12(6-4-11)21-17(23)15(16(19)20-21)28-14-9-7-13(8-10-14)22(25)26/h3-10,15H,2H2,1H3,(H2,19,20)