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

Systemtic Name: 4-[(1R,3S)-3-azanyl-1-(3-fluoranylthiophen-2-yl)-4-oxidanyl-butyl]sulfanyl-6-methoxy-pyridine-3-carbonitrile Openeye Name: 4-[(1R,3S)-3-amino-1-(3-fluoro-2-thienyl)-4-hydroxy-butyl]sulfanyl-6-methoxy-pyridine-3-carbonitrile CAS Name: 4-[[(1R,3S)-3-amino-1-(3-fluoro-2-thiophenyl)-4-hydroxybutyl]thio]-6-methoxy-3-pyridinecarbonitrile IUPAC Name: 4-[(1R,3S)-3-amino-1-(3-fluorothiophen-2-yl)-4-hydroxybutyl]sulfanyl-6-methoxypyridine-3-carbonitrile Traditional Name: 4-[[(1R,3S)-3-amino-1-(3-fluoro-2-thienyl)-4-hydroxy-butyl]thio]-6-methoxy-nicotinonitrile Formula: C15H16FN3O2S2 MolecularWeight: 353.434843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C(=C1)SC(CC(CO)N)C2=C(C=CS2)F)C#N

Isomeric SMILES

COC1=NC=C(C(=C1)S[C@H](C[C@@H](CO)N)C2=C(C=CS2)F)C#N

InChI

InChI=1S/C15H16FN3O2S2/c1-21-14-5-12(9(6-17)7-19-14)23-13(4-10(18)8-20)15-11(16)2-3-22-15/h2-3,5,7,10,13,20H,4,8,18H2,1H3/t10-,13+/m0/s1