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

Systemtic Name: N-(2-bromanyl-4,5-dimethyl-phenyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4,5-dimethyl-phenyl)acetamide CAS Name: N-(2-bromo-4,5-dimethylphenyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4,5-dimethylphenyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(2-bromo-4,5-dimethyl-phenyl)acetamide Formula: C22H23BrN4O2S MolecularWeight: 487.41262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3

InChI

InChI=1S/C22H23BrN4O2S/c1-4-10-27-20(13-29-17-8-6-5-7-9-17)25-26-22(27)30-14-21(28)24-19-12-16(3)15(2)11-18(19)23/h4-9,11-12H,1,10,13-14H2,2-3H3,(H,24,28)