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

Systemtic Name: 3-[5-[(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(1R)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[(1R)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C15H17BrN4O2S MolecularWeight: 397.29008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NN=C(N2C)CCC(=O)N

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)Br)SC2=NN=C(N2C)CCC(=O)N

InChI

InChI=1S/C15H17BrN4O2S/c1-9(14(22)10-3-5-11(16)6-4-10)23-15-19-18-13(20(15)2)8-7-12(17)21/h3-6,9H,7-8H2,1-2H3,(H2,17,21)/t9-/m1/s1