2,2-dimethyl-6-(pyridin-2-ylmethylsulfanyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole

Systemtic Name: 2,2-dimethyl-6-(pyridin-2-ylmethylsulfanyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole Openeye Name: 2,2-dimethyl-6-(2-pyridylmethylsulfanyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole CAS Name: 2,2-dimethyl-6-(2-pyridinylmethylthio)-5H-[1,3]dioxolo[4,5-f]benzimidazole IUPAC Name: 2,2-dimethyl-6-(pyridin-2-ylmethylsulfanyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole Traditional Name: 2,2-dimethyl-6-(2-pyridylmethylthio)-5H-[1,3]dioxolo[4,5-f]benzimidazole Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(O1)C=C3C(=C2)NC(=N3)SCC4=CC=CC=N4)C

Isomeric SMILES

CC1(OC2=C(O1)C=C3C(=C2)NC(=N3)SCC4=CC=CC=N4)C

InChI

InChI=1S/C16H15N3O2S/c1-16(2)20-13-7-11-12(8-14(13)21-16)19-15(18-11)22-9-10-5-3-4-6-17-10/h3-8H,9H2,1-2H3,(H,18,19)