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

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)butan-1-one Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(4-methyl-1-piperidyl)butan-1-one CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-(4-methyl-1-piperidinyl)-1-butanone IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)butan-1-one Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-(4-methylpiperidino)butan-1-one Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCC(CC1)C)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)N1CCC(CC1)C)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

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