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

Systemtic Name: 3,3-dimethyl-1-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]butan-2-one Formula: C14H18N3OS+ MolecularWeight: 276.37722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=[N+](NC=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=[N+](NC=N1)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3OS/c1-14(2,3)12(18)9-19-13-15-10-16-17(13)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/p+1