3-[3-[(4-tert-butylphenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[(4-tert-butylphenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(4-tert-butylphenyl)methylthio]-5-(2-furanyl)-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(4-tert-butylphenyl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(4-tert-butylbenzyl)thio]-5-(2-furyl)-1,2,4-triazol-4-yl]propionamide Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CCC(=O)N)C3=CC=CO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CCC(=O)N)C3=CC=CO3

InChI

InChI=1S/C20H24N4O2S/c1-20(2,3)15-8-6-14(7-9-15)13-27-19-23-22-18(16-5-4-12-26-16)24(19)11-10-17(21)25/h4-9,12H,10-11,13H2,1-3H3,(H2,21,25)