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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-fluoranylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-fluorophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide Formula: C20H19FN4O3S MolecularWeight: 414.453263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4F)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4F)C(=O)N

InChI

InChI=1S/C20H19FN4O3S/c21-13-6-2-3-7-15(13)28-11-25-10-9-14(24-25)19(27)23-20-17(18(22)26)12-5-1-4-8-16(12)29-20/h2-3,6-7,9-10H,1,4-5,8,11H2,(H2,22,26)(H,23,27)