[2,2-dimethyl-3-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propyl]-dimethyl-azanium

Systemtic Name: [2,2-dimethyl-3-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propyl]-dimethyl-azanium Openeye Name: [2,2-dimethyl-3-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propyl]-dimethylazanium Traditional Name: [2,2-dimethyl-3-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)propyl]-dimethyl-ammonium Formula: C15H23N4S+ MolecularWeight: 291.43492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C(=NNC1=S)C2=CC=CC=C2)C[NH+](C)C

Isomeric SMILES

CC(C)(CN1C(=NNC1=S)C2=CC=CC=C2)C[NH+](C)C

InChI

InChI=1S/C15H22N4S/c1-15(2,10-18(3)4)11-19-13(16-17-14(19)20)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,20)/p+1