ethyl 4-[2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C12H20N6O3S MolecularWeight: 328.3906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2N)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2N)C

InChI

InChI=1S/C12H20N6O3S/c1-3-21-12(20)17-6-4-16(5-7-17)10(19)8-22-11-15-14-9(2)18(11)13/h3-8,13H2,1-2H3