4-[2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[[4-allyl-5-(5-bromobenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile CAS Name: 4-[2-[[5-(5-bromo-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-[[5-(5-bromo-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzonitrile Traditional Name: 4-[2-[[4-allyl-5-(5-bromobenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]acetyl]benzonitrile Formula: C22H15BrN4O2S MolecularWeight: 479.3491

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C22H15BrN4O2S/c1-2-9-27-21(20-11-16-10-17(23)7-8-19(16)29-20)25-26-22(27)30-13-18(28)15-5-3-14(12-24)4-6-15/h2-8,10-11H,1,9,13H2