2-[(4-propan-2-ylphenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(4-propan-2-ylphenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(4-isopropylphenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[(4-propan-2-ylphenyl)methylthio]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(4-propan-2-ylphenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(4-isopropylbenzyl)thio]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H24N2O4S/c1-13(2)15-8-6-14(7-9-15)12-28-21-23-22-20(27-21)16-10-17(24-3)19(26-5)18(11-16)25-4/h6-11,13H,12H2,1-5H3