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

Systemtic Name: 2-[(4-chloranylphenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazole-3-carboxamide Openeye Name: 2-[(4-chlorophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrazole-3-carboxamide CAS Name: 2-[(4-chlorophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyrazolecarboxamide IUPAC Name: 2-[(4-chlorophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazole-3-carboxamide Traditional Name: 2-[(4-chlorophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyrazole-3-carboxamide Formula: C20H17ClN4O2S MolecularWeight: 412.89258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=NN3COC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=NN3COC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C20H17ClN4O2S/c21-13-5-7-14(8-6-13)27-12-25-17(9-10-23-25)19(26)24-20-16(11-22)15-3-1-2-4-18(15)28-20/h5-10H,1-4,12H2,(H,24,26)