3-[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-3-phenyl-pyrazol-1-yl]propanoate

Systemtic Name: 3-[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-3-phenyl-pyrazol-1-yl]propanoate Openeye Name: 3-[4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanoate CAS Name: 3-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-3-phenyl-1-pyrazolyl]propanoate IUPAC Name: 3-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-3-phenylpyrazol-1-yl]propanoate Traditional Name: 3-[4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propionate Formula: C17H13N4O4S- MolecularWeight: 369.37452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)NC3=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)NC3=O)CCC(=O)[O-]

InChI

InChI=1S/C17H14N4O4S/c22-13(23)6-7-21-9-11(14(20-21)10-4-2-1-3-5-10)8-12-15(24)18-17(26)19-16(12)25/h1-5,8-9H,6-7H2,(H,22,23)(H2,18,19,24,25,26)/p-1