diethyl-[(1S)-1-phenyl-2-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-phenyl-2-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]azanium Openeye Name: diethyl-[(1S)-1-phenyl-2-(5-thioxo-1H-1,2,4-triazol-4-yl)ethyl]ammonium CAS Name: diethyl-[(1S)-1-phenyl-2-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-phenyl-2-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]azanium Traditional Name: diethyl-[(1S)-1-phenyl-2-(5-thioxo-1H-1,2,4-triazol-4-yl)ethyl]ammonium Formula: C14H21N4S+ MolecularWeight: 277.40834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4S/c1-3-17(4-2)13(12-8-6-5-7-9-12)10-18-11-15-16-14(18)19/h5-9,11,13H,3-4,10H2,1-2H3,(H,16,19)/p+1/t13-/m1/s1