6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione

Systemtic Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione Openeye Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione CAS Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2,4-dimethyl-1,2,4-triazine-3,5-dione IUPAC Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2,4-dimethyl-1,2,4-triazine-3,5-dione Traditional Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2,4-dimethyl-1,2,4-triazine-3,5-quinone Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=NN(C1=O)C)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN1C(=O)C(=NN(C1=O)C)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C14H15N3O4S/c1-16-13(18)12(15-17(2)14(16)19)22-9-4-5-10-11(8-9)21-7-3-6-20-10/h4-5,8H,3,6-7H2,1-2H3