5-[(3Z)-3-(3-ethyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-5-sulfanyl-1,2-dihydropyrazol-4-yl]-2,3-dimethyl-indole-1-carboxylic acid

Systemtic Name: 5-[(3Z)-3-(3-ethyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-5-sulfanyl-1,2-dihydropyrazol-4-yl]-2,3-dimethyl-indole-1-carboxylic acid Openeye Name: 5-[(3Z)-3-(3-ethyl-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-5-sulfanyl-1,2-dihydropyrazol-4-yl]-2,3-dimethyl-indole-1-carboxylic acid CAS Name: 5-[(3Z)-3-(3-ethyl-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-5-mercapto-1,2-dihydropyrazol-4-yl]-2,3-dimethyl-1-indolecarboxylic acid IUPAC Name: 5-[(3Z)-3-(3-ethyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-5-sulfanyl-1,2-dihydropyrazol-4-yl]-2,3-dimethylindole-1-carboxylic acid Traditional Name: 5-[(3Z)-3-(3-ethyl-4-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-5-mercapto-3-pyrazolin-4-yl]-2,3-dimethyl-indole-1-carboxylic acid Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)S)C3=CC4=C(C=C3)N(C(=C4C)C)C(=O)O)C(=O)C=C1O

Isomeric SMILES

CCC1=C/C(=C/2\C(=C(NN2)S)C3=CC4=C(C=C3)N(C(=C4C)C)C(=O)O)/C(=O)C=C1O

InChI

InChI=1S/C22H21N3O4S/c1-4-12-7-15(18(27)9-17(12)26)20-19(21(30)24-23-20)13-5-6-16-14(8-13)10(2)11(3)25(16)22(28)29/h5-9,23-24,26,30H,4H2,1-3H3,(H,28,29)/b20-15-