97421-16-4 Purity
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Specification
The molecular formula is C20H17N3Sn.
The synonyms are Stannane, (1H-1,2,4-triazol-1-yl)triphenyl- and Triphenyl-1H-1,2,4-triazol-1-yltin.
The molecular weight is 418.1 g/mol.
The component compounds are Triphenylstannylium and 1,2,4-Triazole.
The IUPAC name is triphenyl(1,2,4-triazol-1-yl)stannane.
The InChI is InChI=1S/3C6H5.C2H2N3.Sn/c3*1-2-4-6-5-3-1;1-3-2-5-4-1;/h3*1-5H;1-2H;/q;;;-1;+1.
The InChIKey is XYHXYPORYWQYHD-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)N4C=NC=N4.
The CAS number is 974-29-8.
Yes, it is a canonicalized compound.