S-(6-nitro-1H-benzimidazol-2-yl) 3,4,5-trimethoxybenzenecarbothioate

Systemtic Name: S-(6-nitro-1H-benzimidazol-2-yl) 3,4,5-trimethoxybenzenecarbothioate Openeye Name: S-(6-nitro-1H-benzimidazol-2-yl) 3,4,5-trimethoxybenzenecarbothioate CAS Name: 3,4,5-trimethoxybenzenecarbothioic acid S-(6-nitro-1H-benzimidazol-2-yl) ester IUPAC Name: S-(6-nitro-1H-benzimidazol-2-yl) 3,4,5-trimethoxybenzenecarbothioate Traditional Name: 3,4,5-trimethoxythiobenzoic acid S-(6-nitro-1H-benzimidazol-2-yl) ester Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O6S/c1-24-13-6-9(7-14(25-2)15(13)26-3)16(21)27-17-18-11-5-4-10(20(22)23)8-12(11)19-17/h4-8H,1-3H3,(H,18,19)