1-(3-ethylpent-1-yn-3-yl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]urea

Systemtic Name: 1-(3-ethylpent-1-yn-3-yl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]urea Openeye Name: 1-(1,1-diethylprop-2-ynyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]urea CAS Name: 1-(3-ethylpent-1-yn-3-yl)-3-[[[3-(trifluoromethyl)phenyl]methylthio]methyl]urea IUPAC Name: 1-(3-ethylpent-1-yn-3-yl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]urea Traditional Name: 1-(1,1-diethylprop-2-ynyl)-3-[[[3-(trifluoromethyl)benzyl]thio]methyl]urea Formula: C17H21F3N2OS MolecularWeight: 358.42165

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)NCSCC1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CCC(CC)(C#C)NC(=O)NCSCC1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C17H21F3N2OS/c1-4-16(5-2,6-3)22-15(23)21-12-24-11-13-8-7-9-14(10-13)17(18,19)20/h1,7-10H,5-6,11-12H2,2-3H3,(H2,21,22,23)