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

Systemtic Name: N-[[3-[2-[(2-bromanyl-4,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[3-[2-(2-bromo-4,5-dimethyl-anilino)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[3-[[2-(2-bromo-4,5-dimethylanilino)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[3-[2-(2-bromo-4,5-dimethylanilino)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[3-[[2-(2-bromo-4,5-dimethyl-anilino)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-yl]methyl]-4-methoxy-benzamide Formula: C21H22BrN5O3S MolecularWeight: 504.40008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=NNC(=N2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=NNC(=N2)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22BrN5O3S/c1-12-8-16(22)17(9-13(12)2)24-19(28)11-31-21-25-18(26-27-21)10-23-20(29)14-4-6-15(30-3)7-5-14/h4-9H,10-11H2,1-3H3,(H,23,29)(H,24,28)(H,25,26,27)