3-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]anilino)propanamide CAS Name: 3-(N-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]anilino)propionamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(CCC(=O)N)C2=CC=CC=C2)C3=CC=CC=C3OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(CCC(=O)N)C2=CC=CC=C2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H25N5O3S/c1-3-26-21(17-11-7-8-12-18(17)30-2)24-25-22(26)31-15-20(29)27(14-13-19(23)28)16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3,(H2,23,28)