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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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