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

Systemtic Name: 4-[(1R,3S)-3-azanyl-1-(2-fluorophenyl)-4-oxidanyl-butyl]sulfanyl-6-methoxy-pyridine-3-carbonitrile Openeye Name: 4-[(1R,3S)-3-amino-1-(2-fluorophenyl)-4-hydroxy-butyl]sulfanyl-6-methoxy-pyridine-3-carbonitrile CAS Name: 4-[[(1R,3S)-3-amino-1-(2-fluorophenyl)-4-hydroxybutyl]thio]-6-methoxy-3-pyridinecarbonitrile IUPAC Name: 4-[(1R,3S)-3-amino-1-(2-fluorophenyl)-4-hydroxybutyl]sulfanyl-6-methoxypyridine-3-carbonitrile Traditional Name: 4-[[(1R,3S)-3-amino-1-(2-fluorophenyl)-4-hydroxy-butyl]thio]-6-methoxy-nicotinonitrile Formula: C17H18FN3O2S MolecularWeight: 347.407123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C(=C1)SC(CC(CO)N)C2=CC=CC=C2F)C#N

Isomeric SMILES

COC1=NC=C(C(=C1)S[C@H](C[C@@H](CO)N)C2=CC=CC=C2F)C#N

InChI

InChI=1S/C17H18FN3O2S/c1-23-17-7-15(11(8-19)9-21-17)24-16(6-12(20)10-22)13-4-2-3-5-14(13)18/h2-5,7,9,12,16,22H,6,10,20H2,1H3/t12-,16+/m0/s1