N-(4-bromanyl-2-propan-2-yl-phenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-propan-2-yl-phenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-2-isopropyl-phenyl)acetamide CAS Name: N-(4-bromo-2-propan-2-ylphenyl)-2-[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-propan-2-ylphenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-(4-bromo-2-isopropyl-phenyl)acetamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CO3

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CO3

InChI

InChI=1S/C20H21BrN4O2S/c1-4-9-25-19(17-6-5-10-27-17)23-24-20(25)28-12-18(26)22-16-8-7-14(21)11-15(16)13(2)3/h4-8,10-11,13H,1,9,12H2,2-3H3,(H,22,26)