3-(1-adamantylsulfanylmethyl)-1,2,3-benzotriazin-4-one

Systemtic Name: 3-(1-adamantylsulfanylmethyl)-1,2,3-benzotriazin-4-one Openeye Name: 3-(1-adamantylsulfanylmethyl)-1,2,3-benzotriazin-4-one CAS Name: 3-[(1-adamantylthio)methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-(1-adamantylsulfanylmethyl)-1,2,3-benzotriazin-4-one Traditional Name: 3-[(1-adamantylthio)methyl]-1,2,3-benzotriazin-4-one Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C18H21N3OS/c22-17-15-3-1-2-4-16(15)19-20-21(17)11-23-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2