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

Systemtic Name: 3,4-bis(chloranyl)-N-[[5-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3,4-dichloro-N-[[5-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3,4-dichloro-N-[[5-[[2-(4-ethylanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3,4-dichloro-N-[[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3,4-dichloro-N-[[5-[[2-(4-ethylanilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C21H21Cl2N5O2S MolecularWeight: 478.39474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2N5O2S/c1-3-13-4-7-15(8-5-13)25-19(29)12-31-21-27-26-18(28(21)2)11-24-20(30)14-6-9-16(22)17(23)10-14/h4-10H,3,11-12H2,1-2H3,(H,24,30)(H,25,29)