(4-tert-butylphenyl)methyl-[[3-(2-ethoxy-2-oxidanylidene-ethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[[3-(2-ethoxy-2-oxidanylidene-ethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: (4-tert-butylphenyl)methyl-[[3-(2-ethoxy-2-oxo-ethyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-[[3-(2-ethoxy-2-oxoethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: (4-tert-butylphenyl)methyl-[[3-(2-ethoxy-2-oxoethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: (4-tert-butylbenzyl)-[[3-(2-ethoxy-2-keto-ethyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=S)N1C)C[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)CC1=NN(C(=S)N1C)C[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H30N4O2S/c1-7-26-18(25)12-17-21-24(19(27)23(17)6)14-22(5)13-15-8-10-16(11-9-15)20(2,3)4/h8-11H,7,12-14H2,1-6H3/p+1