N-(2-oxidanylidenechromen-6-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-oxidanylidenechromen-6-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-oxochromen-6-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-(2-oxo-1-benzopyran-6-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-(2-oxochromen-6-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-(2-ketochromen-6-yl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C19H15N4O3S+ MolecularWeight: 379.4124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NC3=CC4=C(C=C3)OC(=O)C=C4

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NC3=CC4=C(C=C3)OC(=O)C=C4

InChI

InChI=1S/C19H14N4O3S/c24-17(22-14-7-8-16-13(10-14)6-9-18(25)26-16)11-27-19-20-12-21-23(19)15-4-2-1-3-5-15/h1-10,12H,11H2,(H,22,24)/p+1