2H-benzotriazole; 5-butyl-2H-benzotriazole

Systemtic Name: 2H-benzotriazole; 5-butyl-2H-benzotriazole Openeye Name: 2H-benzotriazole; 5-butyl-2H-benzotriazole CAS Name: 2H-benzotriazole; 5-butyl-2H-benzotriazole IUPAC Name: 2H-benzotriazole; 5-butyl-2H-benzotriazole Traditional Name: 2H-benzotriazole; 5-butyl-2H-benzotriazole Formula: C22H23N9 MolecularWeight: 413.47832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=NNN=C2C=C1.C1=CC2=NNN=C2C=C1.C1=CC2=NNN=C2C=C1

Isomeric SMILES

CCCCC1=CC2=NNN=C2C=C1.C1=CC2=NNN=C2C=C1.C1=CC2=NNN=C2C=C1

InChI

InChI=1S/C10H13N3.2C6H5N3/c1-2-3-4-8-5-6-9-10(7-8)12-13-11-9;2*1-2-4-6-5(3-1)7-9-8-6/h5-7H,2-4H2,1H3,(H,11,12,13);2*1-4H,(H,7,8,9)