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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C(C)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

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