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

Systemtic Name: 4-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[(1-ethoxycarbonyl-4-piperidyl)amino]-2-oxo-ethyl]-5-(m-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[(1-ethoxycarbonyl-4-piperidinyl)amino]-2-oxoethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-5-(3-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[(1-carbethoxy-4-piperidyl)amino]-2-keto-ethyl]-5-(m-tolyl)-1,2,4-triazole-3-thiolate Formula: C19H24N5O3S- MolecularWeight: 402.49056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CN2C(=NN=C2[S-])C3=CC(=CC=C3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CN2C(=NN=C2[S-])C3=CC(=CC=C3)C

InChI

InChI=1S/C19H25N5O3S/c1-3-27-19(26)23-9-7-15(8-10-23)20-16(25)12-24-17(21-22-18(24)28)14-6-4-5-13(2)11-14/h4-6,11,15H,3,7-10,12H2,1-2H3,(H,20,25)(H,22,28)/p-1