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

Systemtic Name: 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazole CAS Name: 3-[(2,4-dichlorophenyl)methylthio]-5-(7-methoxy-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2,4-dichlorophenyl)methylsulfanyl]-5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2,4-dichlorobenzyl)thio]-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazole Formula: C21H17Cl2N3O2S MolecularWeight: 446.34958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17Cl2N3O2S/c1-3-9-26-20(18-10-13-5-4-6-17(27-2)19(13)28-18)24-25-21(26)29-12-14-7-8-15(22)11-16(14)23/h3-8,10-11H,1,9,12H2,2H3