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

Systemtic Name: (2R)-1-(azepan-1-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(azepan-1-yl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: (2R)-1-(1-azepanyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(azepan-1-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(azepan-1-yl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5OS/c1-13(16(23)22-11-5-3-4-6-12-22)24-17-20-19-15(21(17)2)14-7-9-18-10-8-14/h7-10,13H,3-6,11-12H2,1-2H3/t13-/m1/s1