3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C19H18N6O2S/c1-3-24-17(13-8-10-14(27-2)11-9-13)21-22-19(24)28-12-25-18(26)15-6-4-5-7-16(15)20-23-25/h4-11H,3,12H2,1-2H3