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

Systemtic Name: 4-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-6-(methylamino)pyridine-3-carbonitrile Openeye Name: 4-[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]sulfanyl-6-(methylamino)pyridine-3-carbonitrile CAS Name: 4-[[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]thio]-6-(methylamino)-3-pyridinecarbonitrile IUPAC Name: 4-[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]sulfanyl-6-(methylamino)pyridine-3-carbonitrile Traditional Name: 4-[[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]thio]-6-(methylamino)nicotinonitrile Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=C(C(=C1)SC(CC(CO)N)C2=CC=CC=C2)C#N

Isomeric SMILES

CNC1=NC=C(C(=C1)S[C@H](C[C@@H](CO)N)C2=CC=CC=C2)C#N

InChI

InChI=1S/C17H20N4OS/c1-20-17-8-16(13(9-18)10-21-17)23-15(7-14(19)11-22)12-5-3-2-4-6-12/h2-6,8,10,14-15,22H,7,11,19H2,1H3,(H,20,21)/t14-,15+/m0/s1