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

Systemtic Name: (2S)-1-(azepan-1-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(azepan-1-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2S)-1-(1-azepanyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(azepan-1-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-1-(azepan-1-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C12H20N4OS MolecularWeight: 268.3784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(C)C(=O)N2CCCCCC2

Isomeric SMILES

CC1=NC(=NN1)S[C@@H](C)C(=O)N2CCCCCC2

InChI

InChI=1S/C12H20N4OS/c1-9(18-12-13-10(2)14-15-12)11(17)16-7-5-3-4-6-8-16/h9H,3-8H2,1-2H3,(H,13,14,15)/t9-/m0/s1