(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-diphenethyl-azanium

Systemtic Name: (4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-diphenethyl-azanium Openeye Name: (4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-diphenethyl-ammonium CAS Name: (4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-diphenethylammonium IUPAC Name: (4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-diphenethylazanium Traditional Name: (4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-diphenethyl-ammonium Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)C[NH+](CCC2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

CN1C=NN(C1=S)C[NH+](CCC2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H24N4S/c1-22-16-21-24(20(22)25)17-23(14-12-18-8-4-2-5-9-18)15-13-19-10-6-3-7-11-19/h2-11,16H,12-15,17H2,1H3/p+1