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

Systemtic Name: N-[(3-azanyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]ethanethioamide Openeye Name: N-[(3-amino-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]thioacetamide CAS Name: N-[(3-amino-5-oxo-1-phenyl-4-pyrazolylidene)methyl]ethanethioamide IUPAC Name: N-[(3-amino-5-oxo-1-phenylpyrazol-4-ylidene)methyl]ethanethioamide Traditional Name: N-[(3-amino-5-keto-1-phenyl-2-pyrazolin-4-ylidene)methyl]thioacetamide Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC=C1C(=NN(C1=O)C2=CC=CC=C2)N

Isomeric SMILES

CC(=S)NC=C1C(=NN(C1=O)C2=CC=CC=C2)N

InChI

InChI=1S/C12H12N4OS/c1-8(18)14-7-10-11(13)15-16(12(10)17)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,15)(H,14,18)