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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-(3-methyl-2-benzofuranyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazole Formula: C24H18ClN3OS MolecularWeight: 431.93722

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H18ClN3OS/c1-16-20-9-5-6-10-21(20)29-22(16)23-26-27-24(28(23)19-7-3-2-4-8-19)30-15-17-11-13-18(25)14-12-17/h2-14H,15H2,1H3