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

Systemtic Name: 3-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-5-(2-furyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[2-(3,4-dimethylphenoxy)ethylthio]-5-(2-furanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[2-(3,4-dimethylphenoxy)ethylthio]-5-(2-furyl)-4-phenyl-1,2,4-triazole Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4)C

InChI

InChI=1S/C22H21N3O2S/c1-16-10-11-19(15-17(16)2)26-13-14-28-22-24-23-21(20-9-6-12-27-20)25(22)18-7-4-3-5-8-18/h3-12,15H,13-14H2,1-2H3