2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethyl]ammonium CAS Name: 2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethyl]ammonium Formula: C16H25N4S+ MolecularWeight: 305.4615

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=NNC1=S)C2=CC=CC=C2)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=NNC1=S)C2=CC=CC=C2)C(C)C

InChI

InChI=1S/C16H24N4S/c1-12(2)19(13(3)4)10-11-20-15(17-18-16(20)21)14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3,(H,18,21)/p+1