N-[3-(4-chloranyl-2-methyl-phenoxy)-5-nitro-phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

Systemtic Name: N-[3-(4-chloranyl-2-methyl-phenoxy)-5-nitro-phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide Openeye Name: N-[3-(4-chloro-2-methyl-phenoxy)-5-nitro-phenyl]-5-(2-thienyl)-1H-pyrazole-3-carboxamide CAS Name: N-[3-(4-chloro-2-methylphenoxy)-5-nitrophenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide IUPAC Name: N-[3-(4-chloro-2-methylphenoxy)-5-nitrophenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide Traditional Name: N-[3-(4-chloro-2-methyl-phenoxy)-5-nitro-phenyl]-5-(2-thienyl)-1H-pyrazole-3-carboxamide Formula: C21H15ClN4O4S MolecularWeight: 454.8862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NNC(=C3)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NNC(=C3)C4=CC=CS4

InChI

InChI=1S/C21H15ClN4O4S/c1-12-7-13(22)4-5-19(12)30-16-9-14(8-15(10-16)26(28)29)23-21(27)18-11-17(24-25-18)20-3-2-6-31-20/h2-11H,1H3,(H,23,27)(H,24,25)