methyl 2-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl]thio]acetic acid methyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSCC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSCC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C15H17N3O3S/c1-11-8-13(16-14(19)9-22-10-15(20)21-2)18(17-11)12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,16,19)