2-chloranyl-N-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-5-nitro-benzenecarbothioamide

Systemtic Name: 2-chloranyl-N-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-5-nitro-benzenecarbothioamide Openeye Name: 2-chloro-N-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-5-nitro-benzenecarbothioamide CAS Name: 2-chloro-N-[4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]-5-nitrobenzenecarbothioamide IUPAC Name: 2-chloro-N-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-5-nitrobenzenecarbothioamide Traditional Name: 2-chloro-N-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-5-nitro-thiobenzamide Formula: C19H15ClN4O5S MolecularWeight: 446.8642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=CC=C(C=C2)NC(=S)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=CC=C(C=C2)NC(=S)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C19H15ClN4O5S/c1-27-16-10-17(28-2)23-19(22-16)29-13-6-3-11(4-7-13)21-18(30)14-9-12(24(25)26)5-8-15(14)20/h3-10H,1-2H3,(H,21,30)