3-[[4-(3-methoxypropyl)-5-oxidanylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(3-methoxypropyl)-5-oxidanylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-keto-4-(3-methoxypropyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C14H16N6O3S MolecularWeight: 348.38024

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

COCCCN1C(=O)NN=C1SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H16N6O3S/c1-23-8-4-7-19-13(22)16-17-14(19)24-9-20-12(21)10-5-2-3-6-11(10)15-18-20/h2-3,5-6H,4,7-9H2,1H3,(H,16,22)