4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H15N3O3S/c1-8-13(9(2)17-16-8)15-12(18)7-21-11-5-3-10(4-6-11)14(19)20/h3-6H,7H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)