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

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dimethyl-1-piperidyl)propan-1-one CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(3,5-dimethyl-1-piperidinyl)-1-propanone IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(3,5-dimethylpiperidino)propan-1-one Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4CC4)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4CC4)C

InChI

InChI=1S/C21H28N4OS/c1-14-11-15(2)13-24(12-14)20(26)16(3)27-21-23-22-19(17-9-10-17)25(21)18-7-5-4-6-8-18/h4-8,14-17H,9-13H2,1-3H3