3-[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-3-(4-fluorophenyl)pyrazol-1-yl]propanoate

Systemtic Name: 3-[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-3-(4-fluorophenyl)pyrazol-1-yl]propanoate Openeye Name: 3-[4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-3-(4-fluorophenyl)pyrazol-1-yl]propanoate CAS Name: 3-[4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-3-(4-fluorophenyl)-1-pyrazolyl]propanoate IUPAC Name: 3-[4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-3-(4-fluorophenyl)pyrazol-1-yl]propanoate Traditional Name: 3-[4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-3-(4-fluorophenyl)pyrazol-1-yl]propionate Formula: C16H12FN4O3S- MolecularWeight: 359.354883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C=C3C(=O)N=C(S3)N)CCC(=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2C=C3C(=O)N=C(S3)N)CCC(=O)[O-])F

InChI

InChI=1S/C16H13FN4O3S/c17-11-3-1-9(2-4-11)14-10(7-12-15(24)19-16(18)25-12)8-21(20-14)6-5-13(22)23/h1-4,7-8H,5-6H2,(H,22,23)(H2,18,19,24)/p-1