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

Systemtic Name: ethyl 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]piperidine-3-carboxylate CAS Name: 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3S/c1-2-32-24(31)20-14-9-15-29(16-20)21(30)17-33-25-26-22(18-10-5-3-6-11-18)23(27-28-25)19-12-7-4-8-13-19/h3-8,10-13,20H,2,9,14-17H2,1H3