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

Systemtic Name: 2-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-6-(hydroxymethyl)pyridine-3-carbonitrile Openeye Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]sulfanyl-6-(hydroxymethyl)pyridine-3-carbonitrile CAS Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]thio]-6-(hydroxymethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]sulfanyl-6-(hydroxymethyl)pyridine-3-carbonitrile Traditional Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]thio]-6-methylol-nicotinonitrile Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(CO)N)SC2=C(C=CC(=N2)CO)C#N

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C[C@@H](CO)N)SC2=C(C=CC(=N2)CO)C#N

InChI

InChI=1S/C17H19N3O2S/c18-9-13-6-7-15(11-22)20-17(13)23-16(8-14(19)10-21)12-4-2-1-3-5-12/h1-7,14,16,21-22H,8,10-11,19H2/t14-,16+/m0/s1