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

Systemtic Name: 1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazole-3-carboxamide Openeye Name: 1-[(2-bromo-4-chloro-phenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrazole-3-carboxamide CAS Name: 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazole-3-carboxamide Traditional Name: 1-[(2-bromo-4-chloro-phenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrazole-3-carboxamide Formula: C20H16BrClN4O2S MolecularWeight: 491.78864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)Cl)Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)Cl)Br)C#N

InChI

InChI=1S/C20H16BrClN4O2S/c21-15-9-12(22)5-6-17(15)28-11-26-8-7-16(25-26)19(27)24-20-14(10-23)13-3-1-2-4-18(13)29-20/h5-9H,1-4,11H2,(H,24,27)