2,4-bis(chloranyl)-N-[1-[4-ethyl-5-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 2,4-bis(chloranyl)-N-[1-[4-ethyl-5-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 2,4-dichloro-N-[1-[4-ethyl-5-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 2,4-dichloro-N-[1-[4-ethyl-5-[[2-(3-methylanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 2,4-dichloro-N-[1-[4-ethyl-5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 2,4-dichloro-N-[1-[4-ethyl-5-[[2-keto-2-(m-toluidino)ethyl]thio]-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C22H23Cl2N5O2S MolecularWeight: 492.42132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23Cl2N5O2S/c1-4-29-20(14(3)25-21(31)17-9-8-15(23)11-18(17)24)27-28-22(29)32-12-19(30)26-16-7-5-6-13(2)10-16/h5-11,14H,4,12H2,1-3H3,(H,25,31)(H,26,30)