6-[(3-methyl-4-nitro-pyridin-2-yl)methylsulfanyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole

Systemtic Name: 6-[(3-methyl-4-nitro-pyridin-2-yl)methylsulfanyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole Openeye Name: 6-[(3-methyl-4-nitro-2-pyridyl)methylsulfanyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole CAS Name: 6-[(3-methyl-4-nitro-2-pyridinyl)methylthio]-5H-[1,3]dioxolo[4,5-f]benzimidazole IUPAC Name: 6-[(3-methyl-4-nitropyridin-2-yl)methylsulfanyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole Traditional Name: 6-[(3-methyl-4-nitro-2-pyridyl)methylthio]-5H-[1,3]dioxolo[4,5-f]benzimidazole Formula: C15H12N4O4S MolecularWeight: 344.34518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC4=C(C=C3N2)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC4=C(C=C3N2)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O4S/c1-8-11(16-3-2-12(8)19(20)21)6-24-15-17-9-4-13-14(23-7-22-13)5-10(9)18-15/h2-5H,6-7H2,1H3,(H,17,18)