3-[(4-methoxyphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(4-methoxyphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(4-methoxyphenyl)methylsulfanyl]-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(4-methoxyphenyl)methylthio]-5-(2-methyl-3-furanyl)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(4-methoxyphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(2-methyl-3-furyl)-5-(p-anisylthio)-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)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=C(C=C4)OC

InChI

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