4-chloranyl-N-[[3-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]benzamide

Systemtic Name: 4-chloranyl-N-[[3-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]benzamide Openeye Name: 4-chloro-N-[[3-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]benzamide CAS Name: 4-chloro-N-[[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-yl]methyl]benzamide IUPAC Name: 4-chloro-N-[[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]benzamide Traditional Name: 4-chloro-N-[[3-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-yl]methyl]benzamide Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NNC(=N2)CNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NNC(=N2)CNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN5O2S/c1-12-4-3-5-13(2)18(12)24-17(27)11-29-20-23-16(25-26-20)10-22-19(28)14-6-8-15(21)9-7-14/h3-9H,10-11H2,1-2H3,(H,22,28)(H,24,27)(H,23,25,26)