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

Systemtic Name: 4-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-methyl-3,5-dinitro-phenyl)thiophene-2-carboxamide Openeye Name: 4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-methyl-3,5-dinitro-phenyl)thiophene-2-carboxamide CAS Name: 4-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-N-(4-methyl-3,5-dinitrophenyl)-2-thiophenecarboxamide IUPAC Name: 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-3,5-dinitrophenyl)thiophene-2-carboxamide Traditional Name: 4-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-methyl-3,5-dinitro-phenyl)thiophene-2-carboxamide Formula: C18H16ClN5O5S MolecularWeight: 449.86814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O5S/c1-9-14(23(26)27)5-13(6-15(9)24(28)29)20-18(25)16-4-12(8-30-16)7-22-11(3)17(19)10(2)21-22/h4-6,8H,7H2,1-3H3,(H,20,25)