3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one CAS Name: 3-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one Traditional Name: 3-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-1,2,3-benzotriazin-4-one Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H13N3O3S/c20-16-12-3-1-2-4-13(12)17-18-19(16)10-23-11-5-6-14-15(9-11)22-8-7-21-14/h1-6,9H,7-8,10H2