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

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(3,5-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-chlorophenyl)methylsulfanyl]-5-(3,5-dimethoxyphenyl)-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-5-(3,5-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-(3,5-dimethoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-chlorobenzyl)thio]-5-(3,5-dimethoxyphenyl)-1,2,4-triazole Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC=CC=C3Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C20H20ClN3O2S/c1-4-9-24-19(15-10-16(25-2)12-17(11-15)26-3)22-23-20(24)27-13-14-7-5-6-8-18(14)21/h4-8,10-12H,1,9,13H2,2-3H3