ethyl 1-[4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]butyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butanoyl]isonipecotic acid ethyl ester Formula: C24H28N4O3S2 MolecularWeight: 484.63412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C24H28N4O3S2/c1-2-31-23(30)18-12-14-27(15-13-18)21(29)11-7-17-33-24-26-25-22(20-10-6-16-32-20)28(24)19-8-4-3-5-9-19/h3-6,8-10,16,18H,2,7,11-15,17H2,1H3