2-[[5-(5-bromanylfuran-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)ethanamide

Systemtic Name: 2-[[5-(5-bromanylfuran-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)ethanamide Openeye Name: 2-[[5-(5-bromo-2-furyl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide CAS Name: 2-[[5-(5-bromo-2-furanyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-N-(4-ethylphenyl)acetamide IUPAC Name: 2-[[5-(5-bromofuran-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide Traditional Name: 2-[[5-(5-bromo-2-furyl)-4-isopropyl-1,2,4-triazol-3-yl]thio]-N-(4-ethylphenyl)acetamide Formula: C19H21BrN4O2S MolecularWeight: 449.36464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C(C)C)C3=CC=C(O3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C(C)C)C3=CC=C(O3)Br

InChI

InChI=1S/C19H21BrN4O2S/c1-4-13-5-7-14(8-6-13)21-17(25)11-27-19-23-22-18(24(19)12(2)3)15-9-10-16(20)26-15/h5-10,12H,4,11H2,1-3H3,(H,21,25)