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

Systemtic Name: N-[[3-[2-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-4-chloranyl-benzamide Openeye Name: N-[[3-[2-(4-bromo-2,6-dimethyl-anilino)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-4-chloro-benzamide CAS Name: N-[[3-[[2-(4-bromo-2,6-dimethylanilino)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-yl]methyl]-4-chlorobenzamide IUPAC Name: N-[[3-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-4-chlorobenzamide Traditional Name: N-[[3-[[2-(4-bromo-2,6-dimethyl-anilino)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-yl]methyl]-4-chloro-benzamide Formula: C20H19BrClN5O2S MolecularWeight: 508.81916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=NNC(=N2)CNC(=O)C3=CC=C(C=C3)Cl)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=NNC(=N2)CNC(=O)C3=CC=C(C=C3)Cl)C)Br

InChI

InChI=1S/C20H19BrClN5O2S/c1-11-7-14(21)8-12(2)18(11)25-17(28)10-30-20-24-16(26-27-20)9-23-19(29)13-3-5-15(22)6-4-13/h3-8H,9-10H2,1-2H3,(H,23,29)(H,25,28)(H,24,26,27)