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

Systemtic Name: (2R)-1-(azepan-1-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(azepan-1-yl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: (2R)-1-(1-azepanyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(azepan-1-yl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(azepan-1-yl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)SC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C16H21N5OS/c1-12(15(22)21-10-4-2-3-5-11-21)23-16-18-14(19-20-16)13-6-8-17-9-7-13/h6-9,12H,2-5,10-11H2,1H3,(H,18,19,20)/t12-/m1/s1