3-[5-[(3-bromophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[5-[(3-bromophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[(3-bromophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(3-bromophenyl)methylthio]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(3-bromophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(3-bromobenzyl)thio]-4-p-phenetyl-1,2,4-triazol-3-yl]pyridine Formula: C22H19BrN4OS MolecularWeight: 467.38146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)Br)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C22H19BrN4OS/c1-2-28-20-10-8-19(9-11-20)27-21(17-6-4-12-24-14-17)25-26-22(27)29-15-16-5-3-7-18(23)13-16/h3-14H,2,15H2,1H3