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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)SC2=NN=C(N2C)C3=CC=CC=C3

InChI

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