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

Systemtic Name: 3-[(4-chloranylphenoxy)methyl]-5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-chlorophenoxy)methyl]-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(4-chlorophenoxy)methyl]-5-[(2-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenoxy)methyl]-5-[(2-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-chlorophenoxy)methyl]-5-[(2-methylbenzyl)thio]-1,2,4-triazole Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3OS/c1-3-12-24-19(13-25-18-10-8-17(21)9-11-18)22-23-20(24)26-14-16-7-5-4-6-15(16)2/h3-11H,1,12-14H2,2H3