2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one

Systemtic Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one Openeye Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-1-piperidyl)propan-1-one CAS Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)-1-propanone IUPAC Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one Traditional Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperidino)propan-1-one Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C24H28N4O2S/c1-17-12-14-27(15-13-17)23(29)18(2)31-24-26-25-22(19-8-7-11-21(16-19)30-3)28(24)20-9-5-4-6-10-20/h4-11,16-18H,12-15H2,1-3H3