2-[(1R,3S)-3-azanyl-4-oxidanyl-1-pyridin-3-yl-butyl]sulfanyl-4-bromanyl-benzenecarbonitrile

Systemtic Name: 2-[(1R,3S)-3-azanyl-4-oxidanyl-1-pyridin-3-yl-butyl]sulfanyl-4-bromanyl-benzenecarbonitrile Openeye Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-(3-pyridyl)butyl]sulfanyl-4-bromo-benzonitrile CAS Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-(3-pyridinyl)butyl]thio]-4-bromobenzonitrile IUPAC Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-pyridin-3-ylbutyl]sulfanyl-4-bromobenzonitrile Traditional Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-(3-pyridyl)butyl]thio]-4-bromo-benzonitrile Formula: C16H16BrN3OS MolecularWeight: 378.28674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CC(CO)N)SC2=C(C=CC(=C2)Br)C#N

Isomeric SMILES

C1=CC(=CN=C1)[C@@H](C[C@@H](CO)N)SC2=C(C=CC(=C2)Br)C#N

InChI

InChI=1S/C16H16BrN3OS/c17-13-4-3-11(8-18)15(6-13)22-16(7-14(19)10-21)12-2-1-5-20-9-12/h1-6,9,14,16,21H,7,10,19H2/t14-,16+/m0/s1