ethyl 1-[[3-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[3-(3-amino-3-oxo-propyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(3-amino-3-oxopropyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(3-amino-3-oxopropyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[3-(3-amino-3-keto-propyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotic acid ethyl ester Formula: C15H25N5O3S MolecularWeight: 355.4557

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)CCC(=O)N)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C(=N2)CCC(=O)N)C

InChI

InChI=1S/C15H25N5O3S/c1-3-23-14(22)11-6-8-19(9-7-11)10-20-15(24)18(2)13(17-20)5-4-12(16)21/h11H,3-10H2,1-2H3,(H2,16,21)