S-(1H-benzimidazol-2-ylmethyl) 4-phenylbenzenecarbothioate bromide

Systemtic Name: S-(1H-benzimidazol-2-ylmethyl) 4-phenylbenzenecarbothioate bromide Openeye Name: S-(1H-benzimidazol-2-ylmethyl) 4-phenylbenzenecarbothioate bromide CAS Name: 4-phenylbenzenecarbothioic acid S-(1H-benzimidazol-2-ylmethyl) ester bromide IUPAC Name: S-(1H-benzimidazol-2-ylmethyl) 4-phenylbenzenecarbothioate bromide Traditional Name: 4-phenylthiobenzoic acid S-(1H-benzimidazol-2-ylmethyl) ester bromide Formula: C21H16BrN2OS- MolecularWeight: 424.33354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)SCC3=NC4=CC=CC=C4N3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)SCC3=NC4=CC=CC=C4N3.[Br-]

InChI

InChI=1S/C21H16N2OS.BrH/c24-21(25-14-20-22-18-8-4-5-9-19(18)23-20)17-12-10-16(11-13-17)15-6-2-1-3-7-15;/h1-13H,14H2,(H,22,23);1H/p-1