3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-5-(3-methyl-2-benzofuranyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3,4-dichlorobenzyl)thio]-5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazole Formula: C24H17Cl2N3OS MolecularWeight: 466.38228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C24H17Cl2N3OS/c1-15-18-9-5-6-10-21(18)30-22(15)23-27-28-24(29(23)17-7-3-2-4-8-17)31-14-16-11-12-19(25)20(26)13-16/h2-13H,14H2,1H3