ethyl (5E)-2-methyl-5-[nitroso(sulfanyl)methylidene]-3-phenyl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl (5E)-2-methyl-5-[nitroso(sulfanyl)methylidene]-3-phenyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl (5E)-2-methyl-5-[nitroso(sulfanyl)methylene]-3-phenyl-1H-pyrazole-4-carboxylate CAS Name: (5E)-5-[mercapto(nitroso)methylidene]-2-methyl-3-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (5E)-2-methyl-5-[nitroso(sulfanyl)methylidene]-3-phenyl-1H-pyrazole-4-carboxylate Traditional Name: (3E)-3-[mercapto(nitroso)methylene]-1-methyl-5-phenyl-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(NC1=C(N=O)S)C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C\1=C(N(N/C1=C(\N=O)/S)C)C2=CC=CC=C2

InChI

InChI=1S/C14H15N3O3S/c1-3-20-14(18)10-11(13(21)16-19)15-17(2)12(10)9-7-5-4-6-8-9/h4-8,15,21H,3H2,1-2H3/b13-11+