4-bromanylbenzenethiolate; furan-2-yl-(4-methylpyridin-1-ium-1-yl)methanethione

Systemtic Name: 4-bromanylbenzenethiolate; furan-2-yl-(4-methylpyridin-1-ium-1-yl)methanethione Openeye Name: 4-bromobenzenethiolate; 2-furyl-(4-methylpyridin-1-ium-1-yl)methanethione CAS Name: 4-bromobenzenethiolate; 2-furanyl-(4-methyl-1-pyridin-1-iumyl)methanethione IUPAC Name: 4-bromobenzenethiolate; furan-2-yl-(4-methylpyridin-1-ium-1-yl)methanethione Traditional Name: 4-bromobenzenethiolate; 2-furyl-(4-methylpyridin-1-ium-1-yl)methanethione Formula: C17H14BrNOS2 MolecularWeight: 392.33316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C(=S)C2=CC=CO2.C1=CC(=CC=C1[S-])Br

Isomeric SMILES

CC1=CC=[N+](C=C1)C(=S)C2=CC=CO2.C1=CC(=CC=C1[S-])Br

InChI

InChI=1S/C11H10NOS.C6H5BrS/c1-9-4-6-12(7-5-9)11(14)10-3-2-8-13-10;7-5-1-3-6(8)4-2-5/h2-8H,1H3;1-4,8H/q+1;/p-1