N-(4-bromanyl-2-methyl-phenyl)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]acetamide Formula: C14H16BrN5O2S MolecularWeight: 398.27814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSC2=NN=CN2C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSC2=NN=CN2C

InChI

InChI=1S/C14H16BrN5O2S/c1-9-5-10(15)3-4-11(9)18-12(21)6-16-13(22)7-23-14-19-17-8-20(14)2/h3-5,8H,6-7H2,1-2H3,(H,16,22)(H,18,21)