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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2S/c1-6-23-20(27)15(2)29-21-25-24-19(26(21)14-18-8-7-13-28-18)16-9-11-17(12-10-16)22(3,4)5/h7-13,15H,6,14H2,1-5H3,(H,23,27)/t15-/m0/s1