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

Systemtic Name: 3-[[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(4-oxo-1-cyclohexa-2,5-dienylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]propionic acid Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C3C=CC(=O)C=C3)NN=C2SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C3C=CC(=O)C=C3)NN=C2SCCC(=O)O

InChI

InChI=1S/C17H15N3O3S/c21-14-8-6-12(7-9-14)16-18-19-17(24-11-10-15(22)23)20(16)13-4-2-1-3-5-13/h1-9,18H,10-11H2,(H,22,23)