ethyl (4Z)-5-oxidanylidene-1-phenyl-4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylidene]pyrazole-3-carboxylate

Systemtic Name: ethyl (4Z)-5-oxidanylidene-1-phenyl-4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylidene]pyrazole-3-carboxylate Openeye Name: ethyl (4Z)-5-oxo-1-phenyl-4-[(2-thioxo-1,3-benzothiazol-3-yl)methylene]pyrazole-3-carboxylate CAS Name: (4Z)-5-oxo-1-phenyl-4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylidene]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl (4Z)-5-oxo-1-phenyl-4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylidene]pyrazole-3-carboxylate Traditional Name: (4Z)-5-keto-1-phenyl-4-[(2-thioxo-1,3-benzothiazol-3-yl)methylene]-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1=CN2C3=CC=CC=C3SC2=S)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C\1=NN(C(=O)/C1=C\N2C3=CC=CC=C3SC2=S)C4=CC=CC=C4

InChI

InChI=1S/C20H15N3O3S2/c1-2-26-19(25)17-14(18(24)23(21-17)13-8-4-3-5-9-13)12-22-15-10-6-7-11-16(15)28-20(22)27/h3-12H,2H2,1H3/b14-12-