N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]hex-2-ynamide

Systemtic Name: N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]hex-2-ynamide Openeye Name: N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]hex-2-ynamide CAS Name: N-[1-[(phenylthio)methyl]-4-pyrazolyl]-2-hexynamide IUPAC Name: N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]hex-2-ynamide Traditional Name: N-[1-[(phenylthio)methyl]pyrazol-4-yl]hex-2-ynamide Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(=O)NC1=CN(N=C1)CSC2=CC=CC=C2

Isomeric SMILES

CCCC#CC(=O)NC1=CN(N=C1)CSC2=CC=CC=C2

InChI

InChI=1S/C16H17N3OS/c1-2-3-5-10-16(20)18-14-11-17-19(12-14)13-21-15-8-6-4-7-9-15/h4,6-9,11-12H,2-3,13H2,1H3,(H,18,20)