[[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]amino]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]amino]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]amino]-(2-thioxo-3-pyridylidene)methanolate Formula: C16H20N4OS2 MolecularWeight: 348.4862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=C3C=CC=NC3=S)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=C3C=CC=NC3=S)[O-]

InChI

InChI=1S/C16H20N4OS2/c21-14(13-6-5-7-17-15(13)22)19-16-18-12(11-23-16)10-20-8-3-1-2-4-9-20/h5-7,11,21H,1-4,8-10H2,(H,18,19)