1-(4-methoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-methoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-methoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone CAS Name: 1-(4-methoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-methoxyphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]ethanone Formula: C17H16N3O2S+ MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O2S/c1-22-15-9-7-13(8-10-15)16(21)11-23-17-18-12-19-20(17)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3/p+1