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

Systemtic Name: N-(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-fluoranylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-fluorophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide Formula: C21H21FN4O3S MolecularWeight: 428.479843

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4F

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4F

InChI

InChI=1S/C21H21FN4O3S/c1-12-6-7-13-17(10-12)30-21(18(13)19(23)27)24-20(28)15-8-9-26(25-15)11-29-16-5-3-2-4-14(16)22/h2-5,8-9,12H,6-7,10-11H2,1H3,(H2,23,27)(H,24,28)