S-[6-(phenylmethyl)-1H-benzimidazol-2-yl] ethanethioate

Systemtic Name: S-[6-(phenylmethyl)-1H-benzimidazol-2-yl] ethanethioate Openeye Name: S-(6-benzyl-1H-benzimidazol-2-yl) ethanethioate CAS Name: ethanethioic acid S-[6-(phenylmethyl)-1H-benzimidazol-2-yl] ester IUPAC Name: S-(6-benzyl-1H-benzimidazol-2-yl) ethanethioate Traditional Name: ethanethioic acid S-(6-benzyl-1H-benzimidazol-2-yl) ester Formula: C16H14N2OS MolecularWeight: 282.36016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=NC2=C(N1)C=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)SC1=NC2=C(N1)C=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C16H14N2OS/c1-11(19)20-16-17-14-8-7-13(10-15(14)18-16)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18)