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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2N5O3S/c1-28-18(9-10-24-20(30)13-3-8-16(22)17(23)11-13)26-27-21(28)32-12-19(29)25-14-4-6-15(31-2)7-5-14/h3-8,11H,9-10,12H2,1-2H3,(H,24,30)(H,25,29)