5-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazol-4-olate

Systemtic Name: 5-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazol-4-olate Openeye Name: 5-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]-3-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-thioxo-thiazol-4-olate CAS Name: 5-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-3-[[(2S)-2-oxolanyl]methyl]-2-sulfanylidene-4-thiazololate IUPAC Name: 5-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazol-4-olate Traditional Name: 5-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-3-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-thioxo-4-thiazolin-4-olate Formula: C19H18N3O3S2- MolecularWeight: 400.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(N(C(=S)S2)CC3CCCO3)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=C(N(C(=S)S2)C[C@@H]3CCCO3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C19H19N3O3S2/c1-12-15(17(23)22(20-12)13-6-3-2-4-7-13)10-16-18(24)21(19(26)27-16)11-14-8-5-9-25-14/h2-4,6-7,10,14,24H,5,8-9,11H2,1H3/p-1/t14-/m0/s1