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

Systemtic Name: 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetyl]isonipecotic acid Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O3S/c28-19(27-13-11-18(12-14-27)22(29)30)15-31-23-24-20(16-7-3-1-4-8-16)21(25-26-23)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,29,30)