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

Systemtic Name: 4-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-6-ethoxy-pyridine-3-carbonitrile Openeye Name: 4-[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]sulfanyl-6-ethoxy-pyridine-3-carbonitrile CAS Name: 4-[[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]thio]-6-ethoxy-3-pyridinecarbonitrile IUPAC Name: 4-[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]sulfanyl-6-ethoxypyridine-3-carbonitrile Traditional Name: 4-[[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]thio]-6-ethoxy-nicotinonitrile Formula: C18H21N3O2S MolecularWeight: 343.44324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=C(C(=C1)SC(CC(CO)N)C2=CC=CC=C2)C#N

Isomeric SMILES

CCOC1=NC=C(C(=C1)S[C@H](C[C@@H](CO)N)C2=CC=CC=C2)C#N

InChI

InChI=1S/C18H21N3O2S/c1-2-23-18-9-17(14(10-19)11-21-18)24-16(8-15(20)12-22)13-6-4-3-5-7-13/h3-7,9,11,15-16,22H,2,8,12,20H2,1H3/t15-,16+/m0/s1