2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(2-ethylpiperidin-1-yl)propan-1-one

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(2-ethylpiperidin-1-yl)propan-1-one Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(2-ethyl-1-piperidyl)propan-1-one CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-(2-ethyl-1-piperidinyl)-1-propanone IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(2-ethylpiperidin-1-yl)propan-1-one Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-(2-ethylpiperidino)propan-1-one Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4OS/c1-3-21-16-10-11-17-29(21)24(30)18(2)31-25-26-22(19-12-6-4-7-13-19)23(27-28-25)20-14-8-5-9-15-20/h4-9,12-15,18,21H,3,10-11,16-17H2,1-2H3