3-[(3-bromophenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(4-ethoxyphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(4-ethoxyphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4-methyl-5-p-phenetyl-1,2,4-triazole Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H18BrN3OS/c1-3-23-16-9-7-14(8-10-16)17-20-21-18(22(17)2)24-12-13-5-4-6-15(19)11-13/h4-11H,3,12H2,1-2H3