2-[[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4-oxo-1-cyclohexa-2,5-dienylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C3C=CC(=O)C=C3)NN=C2SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C3C=CC(=O)C=C3)NN=C2SCC(=O)O

InChI

InChI=1S/C16H13N3O3S/c20-13-8-6-11(7-9-13)15-17-18-16(23-10-14(21)22)19(15)12-4-2-1-3-5-12/h1-9,17H,10H2,(H,21,22)