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

Systemtic Name: (2R)-1-(azepan-1-yl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(azepan-1-yl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: (2R)-1-(1-azepanyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(azepan-1-yl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(azepan-1-yl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C19H25N5OS/c1-14(18(25)23-12-4-2-3-5-13-23)26-19-22-21-17(24(19)16-6-7-16)15-8-10-20-11-9-15/h8-11,14,16H,2-7,12-13H2,1H3/t14-/m1/s1