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

Systemtic Name: 4-chloranyl-2-methyl-N-[6-methyl-3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrazole-3-carboxamide Openeye Name: 4-chloro-2-methyl-N-[6-methyl-3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrazole-3-carboxamide CAS Name: 4-chloro-2-methyl-N-[6-methyl-3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyrazolecarboxamide IUPAC Name: 4-chloro-2-methyl-N-[6-methyl-3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrazole-3-carboxamide Traditional Name: 4-chloro-2-methyl-N-[6-methyl-3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrazole-3-carboxamide Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O2S/c1-12-5-6-14-16(8-12)30-21(26-20(29)18-15(22)11-25-27(18)2)17(14)19(28)24-10-13-4-3-7-23-9-13/h3-4,7,9,11-12H,5-6,8,10H2,1-2H3,(H,24,28)(H,26,29)