2-[2-[[4-ethyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[[4-ethyl-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[[4-ethyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-[[2-[[4-ethyl-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[[4-ethyl-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[[4-ethyl-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid Formula: C19H18N4O4S MolecularWeight: 398.43562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC=CC2=O)NN=C1SCC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCN1C(=C2C=CC=CC2=O)NN=C1SCC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H18N4O4S/c1-2-23-17(13-8-4-6-10-15(13)24)21-22-19(23)28-11-16(25)20-14-9-5-3-7-12(14)18(26)27/h3-10,21H,2,11H2,1H3,(H,20,25)(H,26,27)