3-[2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanoyl]chromen-2-one

Systemtic Name: 3-[2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanoyl]chromen-2-one Openeye Name: 3-[2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetyl]chromen-2-one CAS Name: 3-[1-oxo-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]ethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetyl]chromen-2-one Traditional Name: 3-[2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetyl]coumarin Formula: C19H14N3O3S+ MolecularWeight: 364.39776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C19H13N3O3S/c23-16(15-10-13-6-4-5-9-17(13)25-18(15)24)11-26-19-20-12-21-22(19)14-7-2-1-3-8-14/h1-10,12H,11H2/p+1