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

Systemtic Name: 4-bromanyl-N-[[5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-bromo-benzamide CAS Name: 4-bromo-N-[[5-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-bromo-N-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-bromo-benzamide Formula: C22H21BrN4O3S MolecularWeight: 501.39614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H21BrN4O3S/c1-3-12-27-20(13-24-21(29)16-4-8-17(23)9-5-16)25-26-22(27)31-14-19(28)15-6-10-18(30-2)11-7-15/h3-11H,1,12-14H2,2H3,(H,24,29)