S-(3aH-benzimidazol-2-ylmethyl) 4-phenylbenzenecarbothioate

Systemtic Name: S-(3aH-benzimidazol-2-ylmethyl) 4-phenylbenzenecarbothioate Openeye Name: S-(3aH-benzimidazol-2-ylmethyl) 4-phenylbenzenecarbothioate CAS Name: 4-phenylbenzenecarbothioic acid S-(3aH-benzimidazol-2-ylmethyl) ester IUPAC Name: S-(3aH-benzimidazol-2-ylmethyl) 4-phenylbenzenecarbothioate Traditional Name: 4-phenylthiobenzoic acid S-(3aH-benzimidazol-2-ylmethyl) ester Formula: C21H16N2OS MolecularWeight: 344.42954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)SCC3=NC4C=CC=CC4=N3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)SCC3=NC4C=CC=CC4=N3

InChI

InChI=1S/C21H16N2OS/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/h1-13,18H,14H2