bis(phenylmethyl)-[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanium

Systemtic Name: bis(phenylmethyl)-[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanium Openeye Name: dibenzyl-[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfonium CAS Name: bis(phenylmethyl)-[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]sulfonium IUPAC Name: dibenzyl-(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanium Traditional Name: dibenzyl-[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfonium Formula: C28H25N4S+ MolecularWeight: 449.5899

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2[S+](CC3=CC=CC=C3)CC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2[S+](CC3=CC=CC=C3)CC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C28H25N4S/c1-4-11-23(12-5-1)20-32-27(26-17-10-18-29-19-26)30-31-28(32)33(21-24-13-6-2-7-14-24)22-25-15-8-3-9-16-25/h1-19H,20-22H2/q+1