4-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-(4-tert-butylphenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-(4-tert-butylphenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-(4-tert-butylphenyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(N1CC2=CC=CO2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(=O)CCSC1=NN=C(N1CC2=CC=CO2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H25N3O2S/c1-15(25)11-13-27-20-23-22-19(24(20)14-18-6-5-12-26-18)16-7-9-17(10-8-16)21(2,3)4/h5-10,12H,11,13-14H2,1-4H3