4-chloranyl-2-nitro-6-[(Z)-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]phenolate

Systemtic Name: 4-chloranyl-2-nitro-6-[(Z)-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]phenolate Openeye Name: 4-chloro-2-nitro-6-[(Z)-(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]phenolate CAS Name: 4-chloro-2-nitro-6-[(Z)-(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)iminomethyl]phenolate IUPAC Name: 4-chloro-2-nitro-6-[(Z)-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]phenolate Traditional Name: 4-chloro-2-[(Z)-(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]-6-nitro-phenolate Formula: C19H10ClN4O4S- MolecularWeight: 425.8251

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)/N=C\C4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C19H11ClN4O4S/c20-13-6-12(17(25)15(7-13)24(27)28)8-22-23-10-21-18-16(19(23)26)14(9-29-18)11-4-2-1-3-5-11/h1-10,25H/p-1/b22-8-