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

Systemtic Name: 3-[4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-3-phenyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-3-phenylpyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propionic acid Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3S2/c20-13(21)6-7-19-9-11(8-12-15(22)17-16(23)24-12)14(18-19)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,20,21)(H,17,22,23)