[[(2S)-6-methylheptan-2-yl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [[(2S)-6-methylheptan-2-yl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [[(1S)-1,5-dimethylhexyl]amino]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [[(2S)-6-methylheptan-2-yl]amino]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [[(2S)-6-methylheptan-2-yl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [[(1S)-1,5-dimethylhexyl]amino]-(2-thioxo-3-pyridylidene)methanolate Formula: C14H21N2OS- MolecularWeight: 265.39434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2OS/c1-10(2)6-4-7-11(3)16-13(17)12-8-5-9-15-14(12)18/h5,8-11,16-17H,4,6-7H2,1-3H3/p-1/t11-/m0/s1