(2R)-2-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-propanamide

Systemtic Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-propanamide Openeye Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-propanamide CAS Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-N,N-dimethylpropanamide IUPAC Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylpropanamide Traditional Name: (2R)-2-[[5-(4-tert-butylphenyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]-N,N-dimethyl-propionamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)SC1=NN=C(N1CC2=CC=CO2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)N(C)C)SC1=NN=C(N1CC2=CC=CO2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H28N4O2S/c1-15(20(27)25(5)6)29-21-24-23-19(26(21)14-18-8-7-13-28-18)16-9-11-17(12-10-16)22(2,3)4/h7-13,15H,14H2,1-6H3/t15-/m1/s1