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

Systemtic Name: methyl 1-[[5-(5-chloranyl-2-methoxy-phenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H21ClN4O3S MolecularWeight: 396.89164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)CN3CCC(CC3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=S)N(N2)CN3CCC(CC3)C(=O)OC

InChI

InChI=1S/C17H21ClN4O3S/c1-24-14-4-3-12(18)9-13(14)15-19-17(26)22(20-15)10-21-7-5-11(6-8-21)16(23)25-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,20,26)