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

Systemtic Name: 3-[4-methyl-5-[2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-5-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-keto-2-(2-phenyl-1H-indol-3-yl)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=C1SCC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)CCC(=O)N

InChI

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