2-[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-chloro-5-nitroanilino)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-chloro-5-nitroanilino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(2-chloro-5-nitro-anilino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C18H12ClN4O4S- MolecularWeight: 415.83028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl)[O-]

InChI

InChI=1S/C18H13ClN4O4S/c19-13-7-6-12(23(26)27)8-15(13)20-17(25)10-28-18-21-14(9-16(24)22-18)11-4-2-1-3-5-11/h1-9H,10H2,(H,20,25)(H,21,22,24)/p-1