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

Systemtic Name: N-(3-bromophenyl)-2-[[5-[(4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide CAS Name: N-(3-bromophenyl)-2-[[5-[(4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-[[5-[(4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide Formula: C21H21BrN4O2S MolecularWeight: 473.38604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H21BrN4O2S/c1-3-11-26-19(13-28-18-9-7-15(2)8-10-18)24-25-21(26)29-14-20(27)23-17-6-4-5-16(22)12-17/h3-10,12H,1,11,13-14H2,2H3,(H,23,27)