4-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]but-2-yn-1-ol

Systemtic Name: 4-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]but-2-yn-1-ol Openeye Name: 4-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]but-2-yn-1-ol CAS Name: 4-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-2-butyn-1-ol IUPAC Name: 4-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]but-2-yn-1-ol Traditional Name: 4-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]but-2-yn-1-ol Formula: C12H12N3OS+ MolecularWeight: 246.30818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC#CCO

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC#CCO

InChI

InChI=1S/C12H11N3OS/c16-8-4-5-9-17-12-13-10-14-15(12)11-6-2-1-3-7-11/h1-3,6-7,10,16H,8-9H2/p+1