3-[(4-bromophenyl)methylsulfanyl]-5-[(2-chloranyl-5-methyl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-chloranyl-5-methyl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromophenyl)methylsulfanyl]-5-[(2-chloro-5-methyl-phenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-[(2-chloro-5-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(2-chloro-5-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-bromobenzyl)thio]-5-[(2-chloro-5-methyl-phenoxy)methyl]-1,2,4-triazole Formula: C20H19BrClN3OS MolecularWeight: 464.80636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrClN3OS/c1-3-10-25-19(12-26-18-11-14(2)4-9-17(18)22)23-24-20(25)27-13-15-5-7-16(21)8-6-15/h3-9,11H,1,10,12-13H2,2H3