4-[(4-chloranylpyrazol-1-yl)methyl]-N-(4-methyl-3,5-dinitro-phenyl)thiophene-2-carboxamide

Systemtic Name: 4-[(4-chloranylpyrazol-1-yl)methyl]-N-(4-methyl-3,5-dinitro-phenyl)thiophene-2-carboxamide Openeye Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methyl-3,5-dinitro-phenyl)thiophene-2-carboxamide CAS Name: 4-[(4-chloro-1-pyrazolyl)methyl]-N-(4-methyl-3,5-dinitrophenyl)-2-thiophenecarboxamide IUPAC Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methyl-3,5-dinitrophenyl)thiophene-2-carboxamide Traditional Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-(4-methyl-3,5-dinitro-phenyl)thiophene-2-carboxamide Formula: C16H12ClN5O5S MolecularWeight: 421.81498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC(=CS2)CN3C=C(C=N3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC(=CS2)CN3C=C(C=N3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN5O5S/c1-9-13(21(24)25)3-12(4-14(9)22(26)27)19-16(23)15-2-10(8-28-15)6-20-7-11(17)5-18-20/h2-5,7-8H,6H2,1H3,(H,19,23)