N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[(1S)-2-(benzotriazol-1-yl)-1-methyl-ethyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[(2S)-1-(1-benzotriazolyl)propan-2-yl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[(1S)-2-(benzotriazol-1-yl)-1-methyl-ethyl]-2-(4-pyridylthio)acetamide Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2N=N1)NC(=O)CSC3=CC=NC=C3

Isomeric SMILES

C[C@@H](CN1C2=CC=CC=C2N=N1)NC(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C16H17N5OS/c1-12(10-21-15-5-3-2-4-14(15)19-20-21)18-16(22)11-23-13-6-8-17-9-7-13/h2-9,12H,10-11H2,1H3,(H,18,22)/t12-/m0/s1