2-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanylpyridine-3-carbonitrile

Systemtic Name: 2-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanylpyridine-3-carbonitrile Openeye Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]sulfanylpyridine-3-carbonitrile CAS Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]thio]nicotinonitrile Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3OS/c17-10-13-7-4-8-19-16(13)21-15(9-14(18)11-20)12-5-2-1-3-6-12/h1-8,14-15,20H,9,11,18H2/t14-,15+/m0/s1