N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(5-fluoro-2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Formula: C20H16FN5O4S MolecularWeight: 441.435543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C=C3)COC4=C(C=CC(=C4)F)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C=C3)COC4=C(C=CC(=C4)F)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H16FN5O4S/c21-12-5-6-16(26(28)29)17(9-12)30-11-25-8-7-15(24-25)19(27)23-20-14(10-22)13-3-1-2-4-18(13)31-20/h5-9H,1-4,11H2,(H,23,27)