3-[5-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[(1R)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1S[C@H](C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)CCC(=O)N

InChI

InChI=1S/C22H21N5O2S/c1-27-19(12-11-18(23)28)25-26-22(27)30-21(14-7-3-2-4-8-14)20(29)16-13-24-17-10-6-5-9-15(16)17/h2-10,13,21,24H,11-12H2,1H3,(H2,23,28)/t21-/m1/s1