4-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide

Systemtic Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide Openeye Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(3-thienylmethylsulfanyl)ethyl]pyrazole-3-carboxamide CAS Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(3-thiophenylmethylthio)ethyl]-3-pyrazolecarboxamide IUPAC Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide Traditional Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(3-thenylthio)ethyl]pyrazole-3-carboxamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)NCCSCC3=CSC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)NCCSCC3=CSC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H25N3O3S2/c1-30-22-9-8-19(14-23(22)31-2)21-15-28(20-6-4-3-5-7-20)27-24(21)25(29)26-11-13-33-17-18-10-12-32-16-18/h3-10,12,14-16H,11,13,17H2,1-2H3,(H,26,29)