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

Systemtic Name: ethyl 4-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C11H18N6O3S MolecularWeight: 314.36402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C11H18N6O3S/c1-2-20-11(19)17-5-3-16(4-6-17)8(18)7-21-10-13-9(12)14-15-10/h2-7H2,1H3,(H3,12,13,14,15)