[[(2S)-2-(dimethylazaniumyl)-2-thiophen-3-yl-ethyl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [[(2S)-2-(dimethylazaniumyl)-2-thiophen-3-yl-ethyl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [[(2S)-2-(dimethylammonio)-2-(3-thienyl)ethyl]amino]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [[(2S)-2-(dimethylammonio)-2-(3-thiophenyl)ethyl]amino]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [[(2S)-2-(dimethylazaniumyl)-2-thiophen-3-ylethyl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [[(2S)-2-(dimethylammonio)-2-(3-thienyl)ethyl]amino]-(2-thioxo-3-pyridylidene)methanolate Formula: C14H17N3OS2 MolecularWeight: 307.43428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3OS2/c1-17(2)12(10-5-7-20-9-10)8-16-13(18)11-4-3-6-15-14(11)19/h3-7,9,12,16,18H,8H2,1-2H3/t12-/m1/s1