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

Systemtic Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C16H16N6OS MolecularWeight: 340.40284

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C16H16N6OS/c23-15-12-3-1-2-4-13(12)17-20-21(15)9-24-16-19-18-14(10-5-6-10)22(16)11-7-8-11/h1-4,10-11H,5-9H2