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

Systemtic Name: 2-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-5-chloranyl-pyridine-3-carbonitrile Openeye Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]sulfanyl-5-chloro-pyridine-3-carbonitrile CAS Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]thio]-5-chloro-3-pyridinecarbonitrile IUPAC Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]sulfanyl-5-chloropyridine-3-carbonitrile Traditional Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]thio]-5-chloro-nicotinonitrile Formula: C16H16ClN3OS MolecularWeight: 333.83574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(CO)N)SC2=NC=C(C=C2C#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C[C@@H](CO)N)SC2=NC=C(C=C2C#N)Cl

InChI

InChI=1S/C16H16ClN3OS/c17-13-6-12(8-18)16(20-9-13)22-15(7-14(19)10-21)11-4-2-1-3-5-11/h1-6,9,14-15,21H,7,10,19H2/t14-,15+/m0/s1