N-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]ethanethioamide

Systemtic Name: N-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]ethanethioamide Openeye Name: N-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]thioacetamide CAS Name: N-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]ethanethioamide IUPAC Name: N-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]ethanethioamide Traditional Name: N-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]thioacetamide Formula: C13H13N3OS MolecularWeight: 259.32682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC(=S)C)C2=CC=CC=C2

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC(=S)C)C2=CC=CC=C2

InChI

InChI=1S/C13H13N3OS/c1-9-12(8-14-10(2)18)13(17)16(15-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,18)/b12-8+