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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(2-furyl)-4-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(2-furanyl)-4-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(2-furyl)-4-(4-methoxyphenyl)-1,2,4-triazole Formula: C20H16BrN3O2S MolecularWeight: 442.32894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CO4

InChI

InChI=1S/C20H16BrN3O2S/c1-25-17-10-8-16(9-11-17)24-19(18-3-2-12-26-18)22-23-20(24)27-13-14-4-6-15(21)7-5-14/h2-12H,13H2,1H3