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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methyl-1-piperidyl)propan-1-one CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-(4-methyl-1-piperidinyl)-1-propanone IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-(4-methylpiperidino)propan-1-one Formula: C17H29N5OS MolecularWeight: 351.51006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C17H29N5OS/c1-12-8-10-21(11-9-12)16(23)13(2)24-17-20-19-15(22(17)18)14-6-4-3-5-7-14/h12-14H,3-11,18H2,1-2H3