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

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

CC(C(=O)O)SC1=NNC(=C2C=CC(=O)C=C2)N1C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)SC1=NNC(=C2C=CC(=O)C=C2)N1C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O3S/c1-11(16(22)23)24-17-19-18-15(12-7-9-14(21)10-8-12)20(17)13-5-3-2-4-6-13/h2-11,18H,1H3,(H,22,23)