3-[3-(4-methylphenyl)-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(4-methylphenyl)-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-3-(p-tolyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[3-(4-methylphenyl)-4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(4-methylphenyl)-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-3-(p-tolyl)pyrazol-1-yl]propionic acid Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)S3)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)S3)CCC(=O)O

InChI

InChI=1S/C17H15N3O3S2/c1-10-2-4-11(5-3-10)15-12(8-13-16(23)18-17(24)25-13)9-20(19-15)7-6-14(21)22/h2-5,8-9H,6-7H2,1H3,(H,21,22)(H,18,23,24)