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

Systemtic Name: ethyl 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]butanoyl]isonipecotic acid ethyl ester Formula: C26H30N4O3S MolecularWeight: 478.6064

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3S/c1-2-33-25(32)21-15-17-29(18-16-21)23(31)14-9-19-34-26-28-27-24(20-10-5-3-6-11-20)30(26)22-12-7-4-8-13-22/h3-8,10-13,21H,2,9,14-19H2,1H3