ethyl 2-[[4-(2,3-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)phenyl]-methyl-amino]ethanoate

Systemtic Name: ethyl 2-[[4-(2,3-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)phenyl]-methyl-amino]ethanoate Openeye Name: ethyl 2-[4-(2,3-dimethyl-5-thioxo-1H-1,2,4-triazol-4-ium-4-yl)-N-methyl-anilino]acetate CAS Name: 2-[4-(2,3-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)-N-methylanilino]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(2,3-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)-N-methylanilino]acetate Traditional Name: 2-[4-(2,3-dimethyl-5-thioxo-1H-1,2,4-triazol-4-ium-4-yl)-N-methyl-anilino]acetic acid ethyl ester Formula: C15H21N4O2S+ MolecularWeight: 321.41784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)C1=CC=C(C=C1)[N+]2=C(N(NC2=S)C)C

Isomeric SMILES

CCOC(=O)CN(C)C1=CC=C(C=C1)[N+]2=C(N(NC2=S)C)C

InChI

InChI=1S/C15H20N4O2S/c1-5-21-14(20)10-17(3)12-6-8-13(9-7-12)19-11(2)18(4)16-15(19)22/h6-9H,5,10H2,1-4H3/p+1