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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-[4-ethyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-(3-chloro-4-methyl-phenyl)propanamide CAS Name: 3-[5-[(2-anilino-2-oxoethyl)thio]-4-ethyl-1,2,4-triazol-3-yl]-N-(3-chloro-4-methylphenyl)propanamide IUPAC Name: 3-[5-(2-anilino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-N-(3-chloro-4-methylphenyl)propanamide Traditional Name: 3-[5-[(2-anilino-2-keto-ethyl)thio]-4-ethyl-1,2,4-triazol-3-yl]-N-(3-chloro-4-methyl-phenyl)propionamide Formula: C22H24ClN5O2S MolecularWeight: 457.97626

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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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN5O2S/c1-3-28-19(11-12-20(29)25-17-10-9-15(2)18(23)13-17)26-27-22(28)31-14-21(30)24-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H,24,30)(H,25,29)