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

Systemtic Name: S-(6-nitro-1H-benzimidazol-2-yl) 3,5-dimethoxybenzenecarbothioate Openeye Name: S-(6-nitro-1H-benzimidazol-2-yl) 3,5-dimethoxybenzenecarbothioate CAS Name: 3,5-dimethoxybenzenecarbothioic acid S-(6-nitro-1H-benzimidazol-2-yl) ester IUPAC Name: S-(6-nitro-1H-benzimidazol-2-yl) 3,5-dimethoxybenzenecarbothioate Traditional Name: 3,5-dimethoxythiobenzoic acid S-(6-nitro-1H-benzimidazol-2-yl) ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H13N3O5S/c1-23-11-5-9(6-12(8-11)24-2)15(20)25-16-17-13-4-3-10(19(21)22)7-14(13)18-16/h3-8H,1-2H3,(H,17,18)