3-[5-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(3-bromoanilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(3-bromoanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(3-bromoanilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C14H16BrN5O2S MolecularWeight: 398.27814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)CCC(=O)N

InChI

InChI=1S/C14H16BrN5O2S/c1-20-12(6-5-11(16)21)18-19-14(20)23-8-13(22)17-10-4-2-3-9(15)7-10/h2-4,7H,5-6,8H2,1H3,(H2,16,21)(H,17,22)