N-(3-bromophenyl)-2-[[5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-bromophenyl)-2-[[5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-[(2-ethoxy-4-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide CAS Name: N-(3-bromophenyl)-2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[(2-ethoxy-4-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide Formula: C23H25BrN4O3S MolecularWeight: 517.4386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C23H25BrN4O3S/c1-4-11-28-21(14-31-19-10-9-16(3)12-20(19)30-5-2)26-27-23(28)32-15-22(29)25-18-8-6-7-17(24)13-18/h4,6-10,12-13H,1,5,11,14-15H2,2-3H3,(H,25,29)