ethyl 4-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H23N5O3S/c1-2-26-18(25)22-10-8-14(9-11-22)20-16(24)12-27-17-19-13-23(21-17)15-6-4-3-5-7-15/h3-7,13-14H,2,8-12H2,1H3,(H,20,24)