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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,5-dimethyl-1-piperidyl)propan-1-one CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(3,5-dimethyl-1-piperidinyl)-1-propanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(3,5-dimethylpiperidino)propan-1-one Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)SC2=NN=C(N2C3CC3)C4=CC=NC=C4)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C(C)SC2=NN=C(N2C3CC3)C4=CC=NC=C4)C

InChI

InChI=1S/C20H27N5OS/c1-13-10-14(2)12-24(11-13)19(26)15(3)27-20-23-22-18(25(20)17-4-5-17)16-6-8-21-9-7-16/h6-9,13-15,17H,4-5,10-12H2,1-3H3