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

Systemtic Name: 2-bromanyl-N-[[5-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-(2-anilino-1-methyl-2-oxo-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-2-bromo-benzamide CAS Name: N-[[5-[(1-anilino-1-oxopropan-2-yl)thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-bromobenzamide IUPAC Name: N-[[5-(1-anilino-1-oxopropan-2-yl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-bromobenzamide Traditional Name: N-[[4-allyl-5-[(2-anilino-2-keto-1-methyl-ethyl)thio]-1,2,4-triazol-3-yl]methyl]-2-bromo-benzamide Formula: C22H22BrN5O2S MolecularWeight: 500.41138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H22BrN5O2S/c1-3-13-28-19(14-24-21(30)17-11-7-8-12-18(17)23)26-27-22(28)31-15(2)20(29)25-16-9-5-4-6-10-16/h3-12,15H,1,13-14H2,2H3,(H,24,30)(H,25,29)