2-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-6-ethanoyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-6-ethanoyl-pyridine-3-carbonitrile Openeye Name: 6-acetyl-2-[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-acetyl-2-[[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-acetyl-2-[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]sulfanylpyridine-3-carbonitrile Traditional Name: 6-acetyl-2-[[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]thio]nicotinonitrile Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC(=C(C=C1)C#N)SC(CC(CO)N)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=NC(=C(C=C1)C#N)S[C@H](C[C@@H](CO)N)C2=CC=CC=C2

InChI

InChI=1S/C18H19N3O2S/c1-12(23)16-8-7-14(10-19)18(21-16)24-17(9-15(20)11-22)13-5-3-2-4-6-13/h2-8,15,17,22H,9,11,20H2,1H3/t15-,17+/m0/s1