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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2,6-dimethoxyphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OCN2C=CC(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OCN2C=CC(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C22H22N4O4S/c1-28-17-7-5-8-18(29-2)20(17)30-13-26-11-10-16(25-26)21(27)24-22-15(12-23)14-6-3-4-9-19(14)31-22/h5,7-8,10-11H,3-4,6,9,13H2,1-2H3,(H,24,27)