3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole

Systemtic Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Openeye Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[2-(3,5-dimethylphenoxy)ethylthio]-4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazole IUPAC Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Traditional Name: 3-[2-(3,5-dimethylphenoxy)ethylthio]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NN=C(N2C)C3=C(OC=C3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NN=C(N2C)C3=C(OC=C3)C)C

InChI

InChI=1S/C18H21N3O2S/c1-12-9-13(2)11-15(10-12)23-7-8-24-18-20-19-17(21(18)4)16-5-6-22-14(16)3/h5-6,9-11H,7-8H2,1-4H3