ethyl 1-[[5-(5-chloranyl-2-methoxy-phenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-(5-chloranyl-2-methoxy-phenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(5-chloro-2-methoxy-phenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(5-chloro-2-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(5-chloro-2-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(5-chloro-2-methoxy-phenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]isonipecotic acid ethyl ester Formula: C18H23ClN4O3S MolecularWeight: 410.91822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CN2C(=S)N=C(N2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CN2C(=S)N=C(N2)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C18H23ClN4O3S/c1-3-26-17(24)12-6-8-22(9-7-12)11-23-18(27)20-16(21-23)14-10-13(19)4-5-15(14)25-2/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,20,21,27)