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

Systemtic Name: N-[[5-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[5-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[5-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[5-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/c1-4-27-19(13-23-21(29)17-8-6-5-7-9-17)25-26-22(27)30-14-20(28)24-18-11-10-15(2)12-16(18)3/h5-12H,4,13-14H2,1-3H3,(H,23,29)(H,24,28)