3-[(3-bromophenyl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-(2-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4-(2-methoxyphenyl)-1,2,4-triazole Formula: C16H14BrN3OS MolecularWeight: 376.27086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=NN=C2SCC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=CC=C1N2C=NN=C2SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H14BrN3OS/c1-21-15-8-3-2-7-14(15)20-11-18-19-16(20)22-10-12-5-4-6-13(17)9-12/h2-9,11H,10H2,1H3