3-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-5-methyl-pyridine-2-carbonitrile

Systemtic Name: 3-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-5-methyl-pyridine-2-carbonitrile Openeye Name: 3-[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]sulfanyl-5-methyl-pyridine-2-carbonitrile CAS Name: 3-[[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]thio]-5-methyl-2-pyridinecarbonitrile IUPAC Name: 3-[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]sulfanyl-5-methylpyridine-2-carbonitrile Traditional Name: 3-[[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]thio]-5-methyl-picolinonitrile Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3OS/c1-12-7-17(15(9-18)20-10-12)22-16(8-14(19)11-21)13-5-3-2-4-6-13/h2-7,10,14,16,21H,8,11,19H2,1H3/t14-,16+/m0/s1