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

Systemtic Name: 4-chloranyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-pyrazole-3-carboxamide Openeye Name: 4-chloro-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl-pyrazole-3-carboxamide CAS Name: 4-chloro-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-pyrazolecarboxamide IUPAC Name: 4-chloro-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpyrazole-3-carboxamide Traditional Name: 4-chloro-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-methyl-pyrazole-3-carboxamide Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Cl)C(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CN1C(=C(C=N1)Cl)C(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C20H17ClN4OS/c1-25-18(16(21)11-23-25)19(26)24-20-15(10-22)14-8-7-13(9-17(14)27-20)12-5-3-2-4-6-12/h2-6,11,13H,7-9H2,1H3,(H,24,26)