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

Systemtic Name: methyl 4-phenyl-1-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoyl]piperidine-4-carboxylate Openeye Name: methyl 4-phenyl-1-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-1-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 4-phenyl-1-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]isonipecotic acid methyl ester Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S2/c1-29-20(28)22(16-6-3-2-4-7-16)10-13-25(14-11-22)18(27)9-12-26-19(23-24-21(26)30)17-8-5-15-31-17/h2-8,15H,9-14H2,1H3,(H,24,30)