N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-3,4,5-trimethoxy-benzamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-3,4,5-trimethoxy-benzamide CAS Name: N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]-3,4,5-trimethoxybenzamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-3,4,5-trimethoxybenzamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-3,4,5-trimethoxy-benzamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H20N4O4S/c1-27-16-9-14(10-17(28-2)18(16)29-3)20(26)23-19-15(11-22)21(25-24-19)30-12-13-7-5-4-6-8-13/h4-10H,12H2,1-3H3,(H2,23,24,25,26)