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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(4-fluoranylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(4-fluorophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide Formula: C20H17FN4O2S MolecularWeight: 396.437983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN4O2S/c21-13-5-7-14(8-6-13)27-12-25-10-9-17(24-25)19(26)23-20-16(11-22)15-3-1-2-4-18(15)28-20/h5-10H,1-4,12H2,(H,23,26)