methyl 1-[2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]isonipecotic acid methyl ester Formula: C15H19N5O3S2 MolecularWeight: 381.47306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(N2N)C3=CC=CS3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(N2N)C3=CC=CS3

InChI

InChI=1S/C15H19N5O3S2/c1-23-14(22)10-4-6-19(7-5-10)12(21)9-25-15-18-17-13(20(15)16)11-3-2-8-24-11/h2-3,8,10H,4-7,9,16H2,1H3