4-bromanylbenzenethiolate; 1-pyridin-1-ium-1-ylethanethione

Systemtic Name: 4-bromanylbenzenethiolate; 1-pyridin-1-ium-1-ylethanethione Openeye Name: 4-bromobenzenethiolate; 1-pyridin-1-ium-1-ylethanethione CAS Name: 4-bromobenzenethiolate; 1-(1-pyridin-1-iumyl)ethanethione IUPAC Name: 4-bromobenzenethiolate; 1-pyridin-1-ium-1-ylethanethione Traditional Name: 4-bromobenzenethiolate; 1-pyridin-1-ium-1-ylethanethione Formula: C13H12BrNS2 MolecularWeight: 326.27508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)[N+]1=CC=CC=C1.C1=CC(=CC=C1[S-])Br

Isomeric SMILES

CC(=S)[N+]1=CC=CC=C1.C1=CC(=CC=C1[S-])Br

InChI

InChI=1S/C7H8NS.C6H5BrS/c1-7(9)8-5-3-2-4-6-8;7-5-1-3-6(8)4-2-5/h2-6H,1H3;1-4,8H/q+1;/p-1