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

Systemtic Name: 2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]-N-(4-propoxyphenyl)ethanamide Openeye Name: 2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-N-(4-propoxyphenyl)acetamide CAS Name: 2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylthio]-N-(4-propoxyphenyl)acetamide IUPAC Name: 2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-N-(4-propoxyphenyl)acetamide Traditional Name: 2-[(5-keto-3-pyrazolin-3-yl)methylthio]-N-(4-propoxyphenyl)acetamide Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=O)CSCC2=CC(=O)NN2

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC(=O)CSCC2=CC(=O)NN2

InChI

InChI=1S/C15H19N3O3S/c1-2-7-21-13-5-3-11(4-6-13)16-15(20)10-22-9-12-8-14(19)18-17-12/h3-6,8H,2,7,9-10H2,1H3,(H,16,20)(H2,17,18,19)