3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one CAS Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one Traditional Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1,2,3-benzotriazin-4-one Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCN3C(=O)C4=CC=CC=C4N=N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCN3C(=O)C4=CC=CC=C4N=N3)OC1

InChI

InChI=1S/C17H15N3O3S/c21-17-13-4-1-2-5-14(13)18-19-20(17)11-24-12-6-7-15-16(10-12)23-9-3-8-22-15/h1-2,4-7,10H,3,8-9,11H2