2-bromanyl-N-[4-methylsulfanyl-1-[[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]amino]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[4-methylsulfanyl-1-[[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]amino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[3-methylsulfanyl-1-[[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]propyl]benzamide CAS Name: 2-bromo-N-[4-(methylthio)-1-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[4-methylsulfanyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[3-(methylthio)-1-[[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]propyl]benzamide Formula: C21H22BrN5O2S MolecularWeight: 488.40068

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1C2=CC(=CC=C2)NC(=O)C(CCSC)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CN1C=NN=C1C2=CC(=CC=C2)NC(=O)C(CCSC)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C21H22BrN5O2S/c1-27-13-23-26-19(27)14-6-5-7-15(12-14)24-21(29)18(10-11-30-2)25-20(28)16-8-3-4-9-17(16)22/h3-9,12-13,18H,10-11H2,1-2H3,(H,24,29)(H,25,28)