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

Systemtic Name: 3-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C22H24N6OS MolecularWeight: 420.53056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6OS/c1-5-27-19(15-10-12-16(13-11-15)22(2,3)4)24-25-21(27)30-14-28-20(29)17-8-6-7-9-18(17)23-26-28/h6-13H,5,14H2,1-4H3