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

Systemtic Name: 3-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H19N5O2S/c1-20(2,3)14-10-8-13(9-11-14)17-22-23-19(27-17)28-12-25-18(26)15-6-4-5-7-16(15)21-24-25/h4-11H,12H2,1-3H3