N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3,4,5-trimethoxy-benzamide CAS Name: N-[3-[(2-chlorophenyl)methylthio]-4-cyano-1H-pyrazol-5-yl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3,4,5-trimethoxybenzamide Traditional Name: N-[3-[(2-chlorobenzyl)thio]-4-cyano-1H-pyrazol-5-yl]-3,4,5-trimethoxy-benzamide Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3Cl)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C21H19ClN4O4S/c1-28-16-8-13(9-17(29-2)18(16)30-3)20(27)24-19-14(10-23)21(26-25-19)31-11-12-6-4-5-7-15(12)22/h4-9H,11H2,1-3H3,(H2,24,25,26,27)