3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3,4-dichlorobenzyl)thio]-5-(2-methoxyphenyl)-1,2,4-triazole Formula: C19H17Cl2N3OS MolecularWeight: 406.32878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H17Cl2N3OS/c1-3-10-24-18(14-6-4-5-7-17(14)25-2)22-23-19(24)26-12-13-8-9-15(20)16(21)11-13/h3-9,11H,1,10,12H2,2H3