N-(4-butylphenyl)-2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide CAS Name: N-(4-butylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylthio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide Traditional Name: N-(4-butylphenyl)-2-[(5-keto-3-pyrazolin-3-yl)methylthio]acetamide Formula: C16H21N3O2S MolecularWeight: 319.42184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSCC2=CC(=O)NN2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSCC2=CC(=O)NN2

InChI

InChI=1S/C16H21N3O2S/c1-2-3-4-12-5-7-13(8-6-12)17-16(21)11-22-10-14-9-15(20)19-18-14/h5-9H,2-4,10-11H2,1H3,(H,17,21)(H2,18,19,20)