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

Systemtic Name: 3-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCN5C(=O)C6=CC=CC=C6N=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCN5C(=O)C6=CC=CC=C6N=N5

InChI

InChI=1S/C20H21N5O2S/c26-17-15-3-1-2-4-16(15)21-24-25(17)11-28-19-23-22-18(27-19)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2