2-chloranyl-5-[2,5-dimethyl-3-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate

Systemtic Name: 2-chloranyl-5-[2,5-dimethyl-3-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Openeye Name: 2-chloro-5-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate CAS Name: 2-chloro-5-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]-1-pyrrolyl]benzoate IUPAC Name: 2-chloro-5-[2,5-dimethyl-3-[(E)-(4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Traditional Name: 2-chloro-5-[3-[(E)-(6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Formula: C18H12ClN3O4S-2 MolecularWeight: 401.82358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)[O-])C)C=C3C(=O)NC(=S)N=C3[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)[O-])C)/C=C\3/C(=O)NC(=S)N=C3[O-]

InChI

InChI=1S/C18H14ClN3O4S/c1-8-5-10(6-13-15(23)20-18(27)21-16(13)24)9(2)22(8)11-3-4-14(19)12(7-11)17(25)26/h3-7H,1-2H3,(H,25,26)(H2,20,21,23,24,27)/p-2