ethyl N-[4-cyano-5-methylsulfanyl-1-(3-phenylpropyl)pyrazol-3-yl]methanimidate

Systemtic Name: ethyl N-[4-cyano-5-methylsulfanyl-1-(3-phenylpropyl)pyrazol-3-yl]methanimidate Openeye Name: ethyl N-[4-cyano-5-methylsulfanyl-1-(3-phenylpropyl)pyrazol-3-yl]methanimidate CAS Name: N-[4-cyano-5-(methylthio)-1-(3-phenylpropyl)-3-pyrazolyl]methanimidic acid ethyl ester IUPAC Name: ethyl N-[4-cyano-5-methylsulfanyl-1-(3-phenylpropyl)pyrazol-3-yl]methanimidate Traditional Name: N-[4-cyano-5-(methylthio)-1-(3-phenylpropyl)pyrazol-3-yl]formimidic acid ethyl ester Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=NC1=NN(C(=C1C#N)SC)CCCC2=CC=CC=C2

Isomeric SMILES

CCOC=NC1=NN(C(=C1C#N)SC)CCCC2=CC=CC=C2

InChI

InChI=1S/C17H20N4OS/c1-3-22-13-19-16-15(12-18)17(23-2)21(20-16)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13H,3,7,10-11H2,1-2H3