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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(2-furyl)-4-methyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(2-furanyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-(2-furyl)-4-methyl-1,2,4-triazole Formula: C14H12BrN3OS MolecularWeight: 350.23358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=CO3

InChI

InChI=1S/C14H12BrN3OS/c1-18-13(12-6-3-7-19-12)16-17-14(18)20-9-10-4-2-5-11(15)8-10/h2-8H,9H2,1H3