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

Systemtic Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one Openeye Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methyl-1-piperidyl)propan-1-one CAS Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-methyl-1-piperidinyl)-1-propanone IUPAC Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)propan-1-one Traditional Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-methylpiperidino)propan-1-one Formula: C20H26N4OS MolecularWeight: 370.51164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H26N4OS/c1-14-10-12-23(13-11-14)19(25)15(2)26-20-22-21-18(16-8-9-16)24(20)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3/t15-/m0/s1