(2R)-1-(azepan-1-yl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: (2R)-1-(azepan-1-yl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(azepan-1-yl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2R)-1-(1-azepanyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(azepan-1-yl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(azepan-1-yl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C18H24N4OS MolecularWeight: 344.47436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)S[C@H](C)C(=O)N3CCCCCC3

InChI

InChI=1S/C18H24N4OS/c1-14(17(23)21-12-8-3-4-9-13-21)24-18-20-19-15(2)22(18)16-10-6-5-7-11-16/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3/t14-/m1/s1