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

Systemtic Name: 3-[(2-chloranyl-5-methyl-phenoxy)methyl]-5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2-chloro-5-methyl-phenoxy)methyl]-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(2-chloro-5-methylphenoxy)methyl]-5-[(2-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-5-methylphenoxy)methyl]-5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2-chloro-5-methyl-phenoxy)methyl]-5-[(2-methylbenzyl)thio]-1,2,4-triazole Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC2=NN=C(N2CC=C)SCC3=CC=CC=C3C

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC2=NN=C(N2CC=C)SCC3=CC=CC=C3C

InChI

InChI=1S/C21H22ClN3OS/c1-4-11-25-20(13-26-19-12-15(2)9-10-18(19)22)23-24-21(25)27-14-17-8-6-5-7-16(17)3/h4-10,12H,1,11,13-14H2,2-3H3