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

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(3,5-dimethyl-1-piperidyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(3,5-dimethylpiperidino)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)SC2=NN(C=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C(C)SC2=NN(C=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C18H24N4OS/c1-13-9-14(2)11-21(10-13)17(23)15(3)24-18-19-12-22(20-18)16-7-5-4-6-8-16/h4-8,12-15H,9-11H2,1-3H3