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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]thiophene-2-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide Formula: C17H14ClFN4O3S MolecularWeight: 408.834463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CSC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CSC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClFN4O3S/c1-9-16(23(25)26)10(2)22(21-9)7-11-5-15(27-8-11)17(24)20-12-3-4-14(19)13(18)6-12/h3-6,8H,7H2,1-2H3,(H,20,24)