3-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-5-methyl-6-oxidanylidene-1H-pyridine-2-carbonitrile

Systemtic Name: 3-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-5-methyl-6-oxidanylidene-1H-pyridine-2-carbonitrile Openeye Name: 3-[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]sulfanyl-5-methyl-6-oxo-1H-pyridine-2-carbonitrile CAS Name: 3-[[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]thio]-5-methyl-6-oxo-1H-pyridine-2-carbonitrile IUPAC Name: 3-[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]sulfanyl-5-methyl-6-oxo-1H-pyridine-2-carbonitrile Traditional Name: 3-[[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]thio]-6-keto-5-methyl-1H-pyridine-2-carbonitrile Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(NC1=O)C#N)SC(CC(CO)N)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(NC1=O)C#N)S[C@H](C[C@@H](CO)N)C2=CC=CC=C2

InChI

InChI=1S/C17H19N3O2S/c1-11-7-16(14(9-18)20-17(11)22)23-15(8-13(19)10-21)12-5-3-2-4-6-12/h2-7,13,15,21H,8,10,19H2,1H3,(H,20,22)/t13-,15+/m0/s1