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

Systemtic Name: 3-[4-ethyl-5-[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-5-[2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-5-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-5-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-5-[[2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)C2=CNC3=CC=CC=C32)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)C2=CNC3=CC=CC=C32)CCC(=O)N

InChI

InChI=1S/C18H21N5O2S/c1-3-23-16(9-8-15(19)24)21-22-18(23)26-11(2)17(25)13-10-20-14-7-5-4-6-12(13)14/h4-7,10-11,20H,3,8-9H2,1-2H3,(H2,19,24)