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

Systemtic Name: 3,4-bis(chloranyl)-N-[[4-ethyl-5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3,4-dichloro-N-[[4-ethyl-5-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3,4-dichloro-N-[[4-ethyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3,4-dichloro-N-[[4-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3,4-dichloro-N-[[4-ethyl-5-[[2-keto-2-(p-anisidino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide Formula: C21H21Cl2N5O3S MolecularWeight: 494.39414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N5O3S/c1-3-28-18(11-24-20(30)13-4-9-16(22)17(23)10-13)26-27-21(28)32-12-19(29)25-14-5-7-15(31-2)8-6-14/h4-10H,3,11-12H2,1-2H3,(H,24,30)(H,25,29)