2-butylsulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-butylsulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-butylsulfanyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-(butylthio)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-butylsulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-(butylthio)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCCCSCC(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C17H23N3O2S/c1-4-5-11-23-12-15(21)18-16-13(2)19(3)20(17(16)22)14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H,18,21)