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

Systemtic Name: methyl 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H24N4O3S/c1-31-23(30)19-12-14-28(15-13-19)20(29)16-32-24-25-21(17-8-4-2-5-9-17)22(26-27-24)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3