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

Systemtic Name: 1-(4-tert-butylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]ethanone Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3OS/c1-20(2,3)16-11-9-15(10-12-16)18(24)13-25-19-21-14-22-23(19)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3/p+1