ethyl 4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C11H20N5O2S+ MolecularWeight: 286.3738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CN2C(=S)N(C=N2)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CN2C(=S)N(C=N2)C

InChI

InChI=1S/C11H19N5O2S/c1-3-18-11(17)15-6-4-14(5-7-15)9-16-10(19)13(2)8-12-16/h8H,3-7,9H2,1-2H3/p+1