bismuth; ethanoic acid; N-[(E)-1-pyridin-2-ylethylideneamino]azepane-1-carbothioamide

Systemtic Name: bismuth; ethanoic acid; N-[(E)-1-pyridin-2-ylethylideneamino]azepane-1-carbothioamide Openeye Name: acetic acid; bismuth; N-[(E)-1-(2-pyridyl)ethylideneamino]azepane-1-carbothioamide CAS Name: acetic acid; bismuth; N-[(E)-1-(2-pyridinyl)ethylideneamino]-1-azepanecarbothioamide IUPAC Name: acetic acid; bismuth; N-[(E)-1-pyridin-2-ylethylideneamino]azepane-1-carbothioamide Traditional Name: acetic acid; bismuth; N-[(E)-1-(2-pyridyl)ethylideneamino]azepane-1-carbothioamide Formula: C30H44BiN8O2S2 MolecularWeight: 821.83314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCCCCC1)C2=CC=CC=N2.CC(=NNC(=S)N1CCCCCC1)C2=CC=CC=N2.CC(=O)O.[Bi]

Isomeric SMILES

C/C(=N\NC(=S)N1CCCCCC1)/C2=CC=CC=N2.C/C(=N\NC(=S)N1CCCCCC1)/C2=CC=CC=N2.CC(=O)O.[Bi]

InChI

InChI=1S/2C14H20N4S.C2H4O2.Bi/c2*1-12(13-8-4-5-9-15-13)16-17-14(19)18-10-6-2-3-7-11-18;1-2(3)4;/h2*4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,17,19);1H3,(H,3,4);/b2*16-12+;;