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

Systemtic Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[(2-chlorophenyl)methylthio]-4-cyano-1H-pyrazol-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[(2-chlorobenzyl)thio]-4-cyano-1H-pyrazol-5-yl]-3,4-dimethoxy-benzamide Formula: C20H17ClN4O3S MolecularWeight: 428.89198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3Cl)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3Cl)C#N)OC

InChI

InChI=1S/C20H17ClN4O3S/c1-27-16-8-7-12(9-17(16)28-2)19(26)23-18-14(10-22)20(25-24-18)29-11-13-5-3-4-6-15(13)21/h3-9H,11H2,1-2H3,(H2,23,24,25,26)