4-bromanyl-N-[(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]benzamide

Systemtic Name: 4-bromanyl-N-[(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: N-[(4-allyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-bromo-benzamide CAS Name: 4-bromo-N-[[5-(phenacylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-bromo-N-[(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: N-[[4-allyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-4-bromo-benzamide Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H19BrN4O2S/c1-2-12-26-19(13-23-20(28)16-8-10-17(22)11-9-16)24-25-21(26)29-14-18(27)15-6-4-3-5-7-15/h2-11H,1,12-14H2,(H,23,28)