2-[(5Z)-5-(4-methyl-6-sulfanylidene-cyclohexa-2,4-dien-1-ylidene)-2-phenyl-1H-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[(5Z)-5-(4-methyl-6-sulfanylidene-cyclohexa-2,4-dien-1-ylidene)-2-phenyl-1H-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[(5Z)-5-(4-methyl-6-thioxo-cyclohexa-2,4-dien-1-ylidene)-2-phenyl-1H-pyrazol-4-yl]acetic acid CAS Name: 2-[(5Z)-5-(4-methyl-6-sulfanylidene-1-cyclohexa-2,4-dienylidene)-2-phenyl-1H-pyrazol-4-yl]acetic acid IUPAC Name: 2-[(5Z)-5-(4-methyl-6-sulfanylidenecyclohexa-2,4-dien-1-ylidene)-2-phenyl-1H-pyrazol-4-yl]acetic acid Traditional Name: 2-[(3Z)-3-(4-methyl-6-thioxo-cyclohexa-2,4-dien-1-ylidene)-1-phenyl-3-pyrazolin-4-yl]acetic acid Formula: C18H16N2O2S MolecularWeight: 324.39684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=S)C(=C2C(=CN(N2)C3=CC=CC=C3)CC(=O)O)C=C1

Isomeric SMILES

CC1=CC(=S)/C(=C\2/C(=CN(N2)C3=CC=CC=C3)CC(=O)O)/C=C1

InChI

InChI=1S/C18H16N2O2S/c1-12-7-8-15(16(23)9-12)18-13(10-17(21)22)11-20(19-18)14-5-3-2-4-6-14/h2-9,11,19H,10H2,1H3,(H,21,22)/b18-15-