S-(1H-benzimidazol-2-ylmethyl) 4-methylbenzenecarbothioate

Systemtic Name: S-(1H-benzimidazol-2-ylmethyl) 4-methylbenzenecarbothioate Openeye Name: S-(1H-benzimidazol-2-ylmethyl) 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-(1H-benzimidazol-2-ylmethyl) ester IUPAC Name: S-(1H-benzimidazol-2-ylmethyl) 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-(1H-benzimidazol-2-ylmethyl) ester Formula: C16H14N2OS MolecularWeight: 282.36016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SCC2=NC3=CC=CC=C3N2

InChI

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