3-[(2-chlorophenyl)methylsulfanyl]-5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(2-chlorobenzyl)thio]-5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NC(=NN2)SCC3=CC=CC=C3Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NC(=NN2)SCC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C17H16ClN3O2S/c1-22-13-7-12(8-14(9-13)23-2)16-19-17(21-20-16)24-10-11-5-3-4-6-15(11)18/h3-9H,10H2,1-2H3,(H,19,20,21)