S-(1-methylbenzimidazol-2-yl) 4-butoxybenzenecarbothioate bromide

Systemtic Name: S-(1-methylbenzimidazol-2-yl) 4-butoxybenzenecarbothioate bromide Openeye Name: S-(1-methylbenzimidazol-2-yl) 4-butoxybenzenecarbothioate bromide CAS Name: 4-butoxybenzenecarbothioic acid S-(1-methyl-2-benzimidazolyl) ester bromide IUPAC Name: S-(1-methylbenzimidazol-2-yl) 4-butoxybenzenecarbothioate bromide Traditional Name: 4-butoxythiobenzoic acid S-(1-methylbenzimidazol-2-yl) ester bromide Formula: C19H20BrN2O2S- MolecularWeight: 420.3433

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)SC2=NC3=CC=CC=C3N2C.[Br-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)SC2=NC3=CC=CC=C3N2C.[Br-]

InChI

InChI=1S/C19H20N2O2S.BrH/c1-3-4-13-23-15-11-9-14(10-12-15)18(22)24-19-20-16-7-5-6-8-17(16)21(19)2;/h5-12H,3-4,13H2,1-2H3;1H/p-1