2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl-diethyl-azanium Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethyl-diethyl-ammonium CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl-diethylammonium IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl-diethylazanium Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethyl-diethyl-ammonium Formula: C14H20ClN4S+ MolecularWeight: 311.8534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN4S/c1-3-18(4-2)9-10-19-13(16-17-14(19)20)11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,20)/p+1