8-(1H-benzimidazol-2-ylsulfanylmethyl)-4H-1,3-benzodioxin-6-amine

Systemtic Name: 8-(1H-benzimidazol-2-ylsulfanylmethyl)-4H-1,3-benzodioxin-6-amine Openeye Name: 8-(1H-benzimidazol-2-ylsulfanylmethyl)-4H-1,3-benzodioxin-6-amine CAS Name: 8-[(1H-benzimidazol-2-ylthio)methyl]-4H-1,3-benzodioxin-6-amine IUPAC Name: 8-(1H-benzimidazol-2-ylsulfanylmethyl)-4H-1,3-benzodioxin-6-amine Traditional Name: [8-[(1H-benzimidazol-2-ylthio)methyl]-4H-1,3-benzodioxin-6-yl]amine Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4N3)N

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4N3)N

InChI

InChI=1S/C16H15N3O2S/c17-12-5-10-7-20-9-21-15(10)11(6-12)8-22-16-18-13-3-1-2-4-14(13)19-16/h1-6H,7-9,17H2,(H,18,19)