ethyl 3-azanyl-2-(2-phenylethanoyl)-5-sulfanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-azanyl-2-(2-phenylethanoyl)-5-sulfanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 3-amino-2-(2-phenylacetyl)-5-thioxo-1H-pyrazole-4-carboxylate CAS Name: 3-amino-2-(1-oxo-2-phenylethyl)-5-sulfanylidene-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-2-(2-phenylacetyl)-5-sulfanylidene-1H-pyrazole-4-carboxylate Traditional Name: 5-amino-1-(2-phenylacetyl)-3-thioxo-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=S)C(=O)CC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)C1=C(N(NC1=S)C(=O)CC2=CC=CC=C2)N

InChI

InChI=1S/C14H15N3O3S/c1-2-20-14(19)11-12(15)17(16-13(11)21)10(18)8-9-6-4-3-5-7-9/h3-7H,2,8,15H2,1H3,(H,16,21)