4-[2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[(3S)-3-ethoxycarbonyl-1-piperidyl]-2-oxo-ethyl]-5-(p-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[(3S)-3-ethoxycarbonyl-1-piperidinyl]-2-oxoethyl]-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[(3S)-3-carbethoxypiperidino]-2-keto-ethyl]-5-(p-tolyl)-1,2,4-triazole-3-thiolate Formula: C19H23N4O3S- MolecularWeight: 387.47592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=NN=C2[S-])C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CN2C(=NN=C2[S-])C3=CC=C(C=C3)C

InChI

InChI=1S/C19H24N4O3S/c1-3-26-18(25)15-5-4-10-22(11-15)16(24)12-23-17(20-21-19(23)27)14-8-6-13(2)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3,(H,21,27)/p-1/t15-/m0/s1