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

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-5-(2-thienyl)-1H-pyrazole-3-carboxamide CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide Traditional Name: N-[3-(4-chloro-3-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)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NNC(=C3)C4=CC=CS4)Cl

Isomeric SMILES

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

InChI

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