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

Systemtic Name: 3-[(3-methylphenoxy)methyl]-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3-methylphenoxy)methyl]-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(3-methylphenoxy)methyl]-5-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-methylphenoxy)methyl]-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-methylbenzyl)thio]-5-[(3-methylphenoxy)methyl]-1,2,4-triazole Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)COC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)COC3=CC=CC(=C3)C

InChI

InChI=1S/C21H23N3OS/c1-4-12-24-20(14-25-19-7-5-6-17(3)13-19)22-23-21(24)26-15-18-10-8-16(2)9-11-18/h4-11,13H,1,12,14-15H2,2-3H3