3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(2,5-dimethoxyphenyl)methylthio]-5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2,5-dimethoxybenzyl)thio]-5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazole Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C22H21N3O3S/c1-15-19(11-12-28-15)21-23-24-22(25(21)17-7-5-4-6-8-17)29-14-16-13-18(26-2)9-10-20(16)27-3/h4-13H,14H2,1-3H3