2-[(4S)-2-azanyl-1,7-bis(oxidanyl)octan-4-yl]sulfanyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(4S)-2-azanyl-1,7-bis(oxidanyl)octan-4-yl]sulfanyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[(1S)-1-(2-amino-3-hydroxy-propyl)-4-hydroxy-pentyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[[(4S)-2-amino-1,7-dihydroxyoctan-4-yl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[(4S)-2-amino-1,7-dihydroxyoctan-4-yl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 2-[[(1S)-1-(2-amino-3-hydroxy-propyl)-4-hydroxy-pentyl]thio]-6-methyl-nicotinonitrile Formula: C15H23N3O2S MolecularWeight: 309.42702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O2S/c1-10-3-5-12(8-16)15(18-10)21-14(6-4-11(2)20)7-13(17)9-19/h3,5,11,13-14,19-20H,4,6-7,9,17H2,1-2H3/t11?,13?,14-/m0/s1