3-[4-ethyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)OC

InChI

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