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

Systemtic Name: 3-[2-(4-methoxyphenyl)ethylsulfanyl]-5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[2-(4-methoxyphenyl)ethylsulfanyl]-5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[2-(4-methoxyphenyl)ethylthio]-5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(4-methoxyphenyl)ethylsulfanyl]-5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[2-(4-methoxyphenyl)ethylthio]-5-(2-methyl-3-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=CO1)C2=NN=C(N2C3=CC=CC=C3)SCCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCCC4=CC=C(C=C4)OC

InChI

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