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

Systemtic Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-1-(2-thienyl)ethanone CAS Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-1-thiophen-2-ylethanone IUPAC Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-1-thiophen-2-ylethanone Traditional Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-1-(2-thienyl)ethanone Formula: C14H12N3OS2+ MolecularWeight: 302.39458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)C3=CC=CS3

InChI

InChI=1S/C14H11N3OS2/c18-12(13-7-4-8-19-13)9-20-14-15-10-16-17(14)11-5-2-1-3-6-11/h1-8,10H,9H2/p+1