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

Systemtic Name: ethyl 1-[[4-(3-chloranyl-4-methyl-phenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[4-(3-chloro-4-methyl-phenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-(3-chloro-4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(3-chloro-4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-(3-chloro-4-methyl-phenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotic acid ethyl ester Formula: C18H23ClN4O2S MolecularWeight: 394.91882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN4O2S/c1-3-25-17(24)14-6-8-21(9-7-14)12-23-18(26)22(11-20-23)15-5-4-13(2)16(19)10-15/h4-5,10-11,14H,3,6-9,12H2,1-2H3