ethyl 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3S/c1-3-33-25(32)21-14-16-30(17-15-21)24(31)18(2)34-26-27-22(19-10-6-4-7-11-19)23(28-29-26)20-12-8-5-9-13-20/h4-13,18,21H,3,14-17H2,1-2H3