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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(2-furylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-(2-furfuryl)-5-(3-methoxyphenyl)-1,2,4-triazole Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3O2S/c1-26-18-5-2-4-16(12-18)20-23-24-21(25(20)13-19-6-3-11-27-19)28-14-15-7-9-17(22)10-8-15/h2-12H,13-14H2,1H3