N-[[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: N-[[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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