2-[2-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[3-(4-bromo-1-methyl-3-pyrazolyl)anilino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]-2-keto-ethyl]thio]acetic acid Formula: C14H14BrN3O3S MolecularWeight: 384.24826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)NC(=O)CSCC(=O)O)Br

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)NC(=O)CSCC(=O)O)Br

InChI

InChI=1S/C14H14BrN3O3S/c1-18-6-11(15)14(17-18)9-3-2-4-10(5-9)16-12(19)7-22-8-13(20)21/h2-6H,7-8H2,1H3,(H,16,19)(H,20,21)