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

Systemtic Name: 4-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-6-(dimethylamino)pyridine-3-carbonitrile Openeye Name: 4-[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]sulfanyl-6-(dimethylamino)pyridine-3-carbonitrile CAS Name: 4-[[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]thio]-6-(dimethylamino)-3-pyridinecarbonitrile IUPAC Name: 4-[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]sulfanyl-6-(dimethylamino)pyridine-3-carbonitrile Traditional Name: 4-[[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]thio]-6-(dimethylamino)nicotinonitrile Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4OS/c1-22(2)18-9-17(14(10-19)11-21-18)24-16(8-15(20)12-23)13-6-4-3-5-7-13/h3-7,9,11,15-16,23H,8,12,20H2,1-2H3/t15-,16+/m0/s1