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

Systemtic Name: 3-[5-[(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(1R)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]thio]-4-ethyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[(1R)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C16H19BrN4O2S MolecularWeight: 411.31666

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)C2=CC=C(C=C2)Br)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C)C(=O)C2=CC=C(C=C2)Br)CCC(=O)N

InChI

InChI=1S/C16H19BrN4O2S/c1-3-21-14(9-8-13(18)22)19-20-16(21)24-10(2)15(23)11-4-6-12(17)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H2,18,22)/t10-/m1/s1