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

Systemtic Name: 2-methyl-N-[6-methyl-3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrazole-3-carboxamide Openeye Name: 2-methyl-N-[6-methyl-3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrazole-3-carboxamide CAS Name: 2-methyl-N-[6-methyl-3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyrazolecarboxamide IUPAC Name: 2-methyl-N-[6-methyl-3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrazole-3-carboxamide Traditional Name: 2-methyl-N-[6-methyl-3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrazole-3-carboxamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)C4=CC=NN4C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)C4=CC=NN4C

InChI

InChI=1S/C21H23N5O2S/c1-13-5-6-15-17(10-13)29-21(25-19(27)16-7-9-24-26(16)2)18(15)20(28)23-12-14-4-3-8-22-11-14/h3-4,7-9,11,13H,5-6,10,12H2,1-2H3,(H,23,28)(H,25,27)