3-(3,4-dimethoxyphenyl)-5-(2-phenoxyethylsulfanyl)-4-propan-2-yl-1,2,4-triazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-(2-phenoxyethylsulfanyl)-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-(3,4-dimethoxyphenyl)-4-isopropyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-(2-phenoxyethylthio)-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-(2-phenoxyethylsulfanyl)-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-(3,4-dimethoxyphenyl)-4-isopropyl-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCCOC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCCOC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25N3O3S/c1-15(2)24-20(16-10-11-18(25-3)19(14-16)26-4)22-23-21(24)28-13-12-27-17-8-6-5-7-9-17/h5-11,14-15H,12-13H2,1-4H3