S-(6-nitro-1H-benzimidazol-2-yl) 2-phenylethanethioate

Systemtic Name: S-(6-nitro-1H-benzimidazol-2-yl) 2-phenylethanethioate Openeye Name: S-(6-nitro-1H-benzimidazol-2-yl) 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-(6-nitro-1H-benzimidazol-2-yl) ester IUPAC Name: S-(6-nitro-1H-benzimidazol-2-yl) 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-(6-nitro-1H-benzimidazol-2-yl) ester Formula: C15H11N3O3S MolecularWeight: 313.33114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O3S/c19-14(8-10-4-2-1-3-5-10)22-15-16-12-7-6-11(18(20)21)9-13(12)17-15/h1-7,9H,8H2,(H,16,17)