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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NN=C2SCC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NN=C2SCC3=CC(=CC=C3)Br

InChI

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