propan-2-yl 2-(1,3-dithiol-2-ylidene)-3-oxidanylidene-3-(1H-pyrazol-5-ylamino)propanoate

Systemtic Name: propan-2-yl 2-(1,3-dithiol-2-ylidene)-3-oxidanylidene-3-(1H-pyrazol-5-ylamino)propanoate Openeye Name: isopropyl 2-(1,3-dithiol-2-ylidene)-3-oxo-3-(1H-pyrazol-5-ylamino)propanoate CAS Name: 2-(1,3-dithiol-2-ylidene)-3-oxo-3-(1H-pyrazol-5-ylamino)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(1,3-dithiol-2-ylidene)-3-oxo-3-(1H-pyrazol-5-ylamino)propanoate Traditional Name: 2-(1,3-dithiol-2-ylidene)-3-keto-3-(1H-pyrazol-5-ylamino)propionic acid isopropyl ester Formula: C12H13N3O3S2 MolecularWeight: 311.37992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=C1SC=CS1)C(=O)NC2=CC=NN2

Isomeric SMILES

CC(C)OC(=O)C(=C1SC=CS1)C(=O)NC2=CC=NN2

InChI

InChI=1S/C12H13N3O3S2/c1-7(2)18-11(17)9(12-19-5-6-20-12)10(16)14-8-3-4-13-15-8/h3-7H,1-2H3,(H2,13,14,15,16)