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

Systemtic Name: 5-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazol-4-olate Openeye Name: 3-benzyl-5-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]-2-thioxo-thiazol-4-olate CAS Name: 5-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-3-(phenylmethyl)-2-sulfanylidene-4-thiazololate IUPAC Name: 3-benzyl-5-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-4-olate Traditional Name: 3-benzyl-5-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2-thioxo-4-thiazolin-4-olate Formula: C21H16N3O2S2- MolecularWeight: 406.50064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(N(C(=S)S2)CC3=CC=CC=C3)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=C(N(C(=S)S2)CC3=CC=CC=C3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S2/c1-14-17(19(25)24(22-14)16-10-6-3-7-11-16)12-18-20(26)23(21(27)28-18)13-15-8-4-2-5-9-15/h2-12,26H,13H2,1H3/p-1