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

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3,4-dichlorophenyl)methylsulfanyl]-5-phenethyl-1,2,4-triazole CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-5-phenethyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3,4-dichlorobenzyl)thio]-5-phenethyl-1,2,4-triazole Formula: C20H19Cl2N3S MolecularWeight: 404.35596

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)CCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)CCC3=CC=CC=C3

InChI

InChI=1S/C20H19Cl2N3S/c1-2-12-25-19(11-9-15-6-4-3-5-7-15)23-24-20(25)26-14-16-8-10-17(21)18(22)13-16/h2-8,10,13H,1,9,11-12,14H2