N-[2-[5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-methoxy-benzamide

Systemtic Name: N-[2-[5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-methoxy-benzamide Openeye Name: N-[2-[4-allyl-5-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-2-methoxy-benzamide CAS Name: N-[2-[5-[(4-bromophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-methoxybenzamide IUPAC Name: N-[2-[5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-methoxybenzamide Traditional Name: N-[2-[4-allyl-5-[(4-bromobenzyl)thio]-1,2,4-triazol-3-yl]ethyl]-2-methoxy-benzamide Formula: C22H23BrN4O2S MolecularWeight: 487.41262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN4O2S/c1-3-14-27-20(12-13-24-21(28)18-6-4-5-7-19(18)29-2)25-26-22(27)30-15-16-8-10-17(23)11-9-16/h3-11H,1,12-15H2,2H3,(H,24,28)