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

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-methyl-1-piperidyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-methyl-1-piperidinyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-methylpiperidino)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C17H23N5OS/c1-12-6-10-22(11-7-12)16(23)13(2)24-17-20-19-15(21(17)3)14-4-8-18-9-5-14/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3