3-(2-methylfuran-3-yl)-5-(2-phenoxyethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-(2-methylfuran-3-yl)-5-(2-phenoxyethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-(2-methyl-3-furyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-methyl-3-furanyl)-5-(2-phenoxyethylthio)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(2-methylfuran-3-yl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(2-methyl-3-furyl)-5-(2-phenoxyethylthio)-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(N2CC3=CC=CC=C3)SCCOC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC3=CC=CC=C3)SCCOC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-17-20(12-13-26-17)21-23-24-22(25(21)16-18-8-4-2-5-9-18)28-15-14-27-19-10-6-3-7-11-19/h2-13H,14-16H2,1H3