3-(furan-2-yl)-4-phenyl-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(furan-2-yl)-4-phenyl-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2-furyl)-4-phenyl-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-furanyl)-4-phenyl-5-[(3,4,5-trimethoxyphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(furan-2-yl)-4-phenyl-5-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2-furyl)-4-phenyl-5-[(3,4,5-trimethoxybenzyl)thio]-1,2,4-triazole Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C22H21N3O4S/c1-26-18-12-15(13-19(27-2)20(18)28-3)14-30-22-24-23-21(17-10-7-11-29-17)25(22)16-8-5-4-6-9-16/h4-13H,14H2,1-3H3