2-[5-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[5-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide Openeye Name: 2-[5-[2-(3-bromoanilino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide CAS Name: 2-[5-[[2-(3-bromoanilino)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]-N-phenylacetamide IUPAC Name: 2-[5-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-phenylacetamide Traditional Name: 2-[5-[[2-(3-bromoanilino)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide Formula: C20H20BrN5O2S MolecularWeight: 474.3741

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H20BrN5O2S/c1-2-26-17(12-18(27)22-15-8-4-3-5-9-15)24-25-20(26)29-13-19(28)23-16-10-6-7-14(21)11-16/h3-11H,2,12-13H2,1H3,(H,22,27)(H,23,28)