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

Systemtic Name: 3-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C23H19N7OS MolecularWeight: 441.50826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=NC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)C5=CC=NC=C5

InChI

InChI=1S/C23H19N7OS/c1-2-16-7-9-18(10-8-16)30-21(17-11-13-24-14-12-17)26-27-23(30)32-15-29-22(31)19-5-3-4-6-20(19)25-28-29/h3-14H,2,15H2,1H3