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

Systemtic Name: 1-[(2-chloranyl-5-methyl-phenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-5-methyl-phenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-5-methylphenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-5-methyl-phenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrazole-3-carboxamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCN2C=CC(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCN2C=CC(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C21H19ClN4O2S/c1-13-6-7-16(22)18(10-13)28-12-26-9-8-17(25-26)20(27)24-21-15(11-23)14-4-2-3-5-19(14)29-21/h6-10H,2-5,12H2,1H3,(H,24,27)