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

Systemtic Name: ethyl 4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H25N5O3S MolecularWeight: 379.4771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C17H25N5O3S/c1-2-25-17(24)21-9-7-20(8-10-21)14(23)11-26-16-19-18-15(12-3-4-12)22(16)13-5-6-13/h12-13H,2-11H2,1H3