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2-(1H-naphtho[2,3-d][1,2,3]triazol-1-ylmethyl)-1,2-benzisothiazol-3(2H)-one1,1-dioxide

HCID 178773370
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Basic information

CAS
724737-41-1
Standard SMILES
O=C1c2ccccc2S(=O)(=O)N1Cn1nnc2cc3ccccc3cc21
InChIKey
KBPZOAILQUURKT-UHFFFAOYSA-N
Molecular formula
C18H12N4O3S
Average molar mass
364.4 g/mol

Names & identifiers

Preferred name
2-(1H-naphtho[2,3-d][1,2,3]triazol-1-ylmethyl)-1,2-benzisothiazol-3(2H)-one1,1-dioxide
IUPAC
2-(benzo[f]benzotriazol-3-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-one
English name
2-(1H-naphtho[2,3-d][1,2,3]triazol-1-ylmethyl)-1,2-benzisothiazol-3(2H)-one1,1-dioxide
Molecular formula
C18H12N4O3S
Molecular weight
364.37788

Names & synonyms

AQ-405/423005072-(1H-naphtho[2,3-d][1,2,3]triazol-1-ylmethyl)-1,2-benzisothiazol-3(2H)-one1,1-dioxide

Database identifiers

CAS
724737-41-1

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
93.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
26
Formal charge
0
Complexity
678

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