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

Systemtic Name: 4-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 4-[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 4-[[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 4-[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 4-[[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]thio]-6-methyl-nicotinonitrile Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1)SC(CC(CO)N)C2=CC=CC=C2)C#N

Isomeric SMILES

CC1=NC=C(C(=C1)S[C@H](C[C@@H](CO)N)C2=CC=CC=C2)C#N

InChI

InChI=1S/C17H19N3OS/c1-12-7-16(14(9-18)10-20-12)22-17(8-15(19)11-21)13-5-3-2-4-6-13/h2-7,10,15,17,21H,8,11,19H2,1H3/t15-,17+/m0/s1