2-[(2S,4R)-2-azanyl-6-methyl-1-oxidanyl-heptan-4-yl]sulfanyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(2S,4R)-2-azanyl-6-methyl-1-oxidanyl-heptan-4-yl]sulfanyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-isobutyl-butyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[[(2S,4R)-2-amino-1-hydroxy-6-methylheptan-4-yl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2S,4R)-2-amino-1-hydroxy-6-methylheptan-4-yl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-isobutyl-butyl]thio]-6-methyl-nicotinonitrile Formula: C15H23N3OS MolecularWeight: 293.42762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SC(CC(C)C)CC(CO)N

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3OS/c1-10(2)6-14(7-13(17)9-19)20-15-12(8-16)5-4-11(3)18-15/h4-5,10,13-14,19H,6-7,9,17H2,1-3H3/t13-,14+/m0/s1