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

Systemtic Name: 4-bromanyl-N-[2-[4-methyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[2-[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-bromo-benzamide CAS Name: N-[2-[5-[(2-anilino-2-oxoethyl)thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-bromobenzamide IUPAC Name: N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-bromobenzamide Traditional Name: N-[2-[5-[(2-anilino-2-keto-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-bromo-benzamide Formula: C20H20BrN5O2S MolecularWeight: 474.3741

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN5O2S/c1-26-17(11-12-22-19(28)14-7-9-15(21)10-8-14)24-25-20(26)29-13-18(27)23-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,22,28)(H,23,27)