[[(2S)-2-(diethylazaniumyl)-2-phenyl-ethyl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [[(2S)-2-(diethylazaniumyl)-2-phenyl-ethyl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [[(2S)-2-(diethylammonio)-2-phenyl-ethyl]amino]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [[(2S)-2-(diethylammonio)-2-phenylethyl]amino]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [[(2S)-2-(diethylazaniumyl)-2-phenylethyl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [[(2S)-2-(diethylammonio)-2-phenyl-ethyl]amino]-(2-thioxo-3-pyridylidene)methanolate Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=C1C=CC=NC1=S)[O-])C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=C1C=CC=NC1=S)[O-])C2=CC=CC=C2

InChI

InChI=1S/C18H23N3OS/c1-3-21(4-2)16(14-9-6-5-7-10-14)13-20-17(22)15-11-8-12-19-18(15)23/h5-12,16,20,22H,3-4,13H2,1-2H3/t16-/m1/s1