2-[2-oxidanylidene-2-[[2-(phenylmethyl)pyrazol-3-yl]amino]ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[[2-(phenylmethyl)pyrazol-3-yl]amino]ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[(2-benzylpyrazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-oxo-2-[[2-(phenylmethyl)-3-pyrazolyl]amino]ethyl]thio]acetic acid IUPAC Name: 2-[2-[(2-benzylpyrazol-3-yl)amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[(2-benzylpyrazol-3-yl)amino]-2-keto-ethyl]thio]acetic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CSCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)CSCC(=O)O

InChI

InChI=1S/C14H15N3O3S/c18-13(9-21-10-14(19)20)16-12-6-7-15-17(12)8-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,16,18)(H,19,20)