2-[(1R,3S)-3-azanyl-4-methoxy-1-phenyl-butyl]sulfanyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(1R,3S)-3-azanyl-4-methoxy-1-phenyl-butyl]sulfanyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[(1R,3S)-3-amino-4-methoxy-1-phenyl-butyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[[(1R,3S)-3-amino-4-methoxy-1-phenylbutyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[(1R,3S)-3-amino-4-methoxy-1-phenylbutyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 2-[[(1R,3S)-3-amino-4-methoxy-1-phenyl-butyl]thio]-6-methyl-nicotinonitrile Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SC(CC(COC)N)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3OS/c1-13-8-9-15(11-19)18(21-13)23-17(10-16(20)12-22-2)14-6-4-3-5-7-14/h3-9,16-17H,10,12,20H2,1-2H3/t16-,17+/m0/s1