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

Systemtic Name: N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-4-methoxy-benzamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-4-methoxy-benzamide CAS Name: N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]-4-methoxybenzamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-4-methoxybenzamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-4-methoxy-benzamide Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H16N4O2S/c1-25-15-9-7-14(8-10-15)18(24)21-17-16(11-20)19(23-22-17)26-12-13-5-3-2-4-6-13/h2-10H,12H2,1H3,(H2,21,22,23,24)