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

Systemtic Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[2-(3,5-dimethylphenoxy)ethylthio]-5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[2-(3,5-dimethylphenoxy)ethylthio]-5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazole Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NN=C(N2C3=CC=CC=C3)C4=C(OC=C4)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NN=C(N2C3=CC=CC=C3)C4=C(OC=C4)C)C

InChI

InChI=1S/C23H23N3O2S/c1-16-13-17(2)15-20(14-16)28-11-12-29-23-25-24-22(21-9-10-27-18(21)3)26(23)19-7-5-4-6-8-19/h4-10,13-15H,11-12H2,1-3H3