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

Systemtic Name: bis[(2-chlorophenyl)methyl]-(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanium Openeye Name: bis[(2-chlorophenyl)methyl]-[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfonium CAS Name: bis[(2-chlorophenyl)methyl]-[4-phenethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]sulfonium IUPAC Name: bis[(2-chlorophenyl)methyl]-(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanium Traditional Name: bis(2-chlorobenzyl)-[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfonium Formula: C29H25Cl2N4S+ MolecularWeight: 532.5066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2[S+](CC3=CC=CC=C3Cl)CC4=CC=CC=C4Cl)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2[S+](CC3=CC=CC=C3Cl)CC4=CC=CC=C4Cl)C5=CN=CC=C5

InChI

InChI=1S/C29H25Cl2N4S/c30-26-14-6-4-11-24(26)20-36(21-25-12-5-7-15-27(25)31)29-34-33-28(23-13-8-17-32-19-23)35(29)18-16-22-9-2-1-3-10-22/h1-15,17,19H,16,18,20-21H2/q+1