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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=CC=C3Br

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=CC=C3Br

InChI

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