3-[(4-bromophenyl)methylsulfanyl]-5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromophenyl)methylsulfanyl]-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(7-methoxy-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-bromobenzyl)thio]-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazole Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3O2S/c1-3-11-25-20(18-12-15-5-4-6-17(26-2)19(15)27-18)23-24-21(25)28-13-14-7-9-16(22)10-8-14/h3-10,12H,1,11,13H2,2H3