N-[(5-chloranylthiophen-2-yl)methyl]-4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-[(5-chloranylthiophen-2-yl)methyl]-4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-[(5-chloro-2-thienyl)methyl]-4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxamide CAS Name: N-[(5-chloro-2-thiophenyl)methyl]-4-(3,4-dimethoxyphenyl)-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[(5-chlorothiophen-2-yl)methyl]-4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxamide Traditional Name: N-[(5-chloro-2-thienyl)methyl]-4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxamide Formula: C23H20ClN3O3S MolecularWeight: 453.9412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)NCC3=CC=C(S3)Cl)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)NCC3=CC=C(S3)Cl)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H20ClN3O3S/c1-29-19-10-8-15(12-20(19)30-2)18-14-27(16-6-4-3-5-7-16)26-22(18)23(28)25-13-17-9-11-21(24)31-17/h3-12,14H,13H2,1-2H3,(H,25,28)