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

Systemtic Name: 2-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-6-ethyl-pyridine-3-carbonitrile Openeye Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]sulfanyl-6-ethyl-pyridine-3-carbonitrile CAS Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]thio]-6-ethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]sulfanyl-6-ethylpyridine-3-carbonitrile Traditional Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]thio]-6-ethyl-nicotinonitrile Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C=C1)C#N)SC(CC(CO)N)C2=CC=CC=C2

Isomeric SMILES

CCC1=NC(=C(C=C1)C#N)S[C@H](C[C@@H](CO)N)C2=CC=CC=C2

InChI

InChI=1S/C18H21N3OS/c1-2-16-9-8-14(11-19)18(21-16)23-17(10-15(20)12-22)13-6-4-3-5-7-13/h3-9,15,17,22H,2,10,12,20H2,1H3/t15-,17+/m0/s1