[[(2S)-5-methylhexan-2-yl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [[(2S)-5-methylhexan-2-yl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [[(1S)-1,4-dimethylpentyl]amino]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [[(2S)-5-methylhexan-2-yl]amino]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [[(2S)-5-methylhexan-2-yl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [[(1S)-1,4-dimethylpentyl]amino]-(2-thioxo-3-pyridylidene)methanolate Formula: C13H19N2OS- MolecularWeight: 251.36776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=C1C=CC=NC1=S)[O-]

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=C1C=CC=NC1=S)[O-]

InChI

InChI=1S/C13H20N2OS/c1-9(2)6-7-10(3)15-12(16)11-5-4-8-14-13(11)17/h4-5,8-10,15-16H,6-7H2,1-3H3/p-1/t10-/m0/s1