N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanamide

Systemtic Name: N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanamide Openeye Name: N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-acetamide CAS Name: N-[1-[(3-cyanophenyl)methyl]-4-pyrazolyl]-2-[(3,4-dimethoxyphenyl)thio]acetamide IUPAC Name: N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide Traditional Name: N-[1-(3-cyanobenzyl)pyrazol-4-yl]-2-[(3,4-dimethoxyphenyl)thio]acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N)OC

InChI

InChI=1S/C21H20N4O3S/c1-27-19-7-6-18(9-20(19)28-2)29-14-21(26)24-17-11-23-25(13-17)12-16-5-3-4-15(8-16)10-22/h3-9,11,13H,12,14H2,1-2H3,(H,24,26)