6-nitro-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 6-nitro-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole Openeye Name: 6-nitro-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole CAS Name: 6-nitro-2-[(3,4,5-trimethoxyphenyl)methylthio]-1H-benzimidazole IUPAC Name: 6-nitro-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole Traditional Name: 6-nitro-2-[(3,4,5-trimethoxybenzyl)thio]-1H-benzimidazole Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c1-23-14-6-10(7-15(24-2)16(14)25-3)9-26-17-18-12-5-4-11(20(21)22)8-13(12)19-17/h4-8H,9H2,1-3H3,(H,18,19)