3-[2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-2-keto-ethyl]thio]propionic acid Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CSCCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CSCCC(=O)O

InChI

InChI=1S/C18H23N3O3S/c1-13-16(10-19-17(22)12-25-9-8-18(23)24)14(2)21(20-13)11-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3,(H,19,22)(H,23,24)