4-chloranyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-3-nitro-benzamide Formula: C19H15ClN4O3S MolecularWeight: 414.8654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C19H15ClN4O3S/c1-11-9-12(2)22-19(21-11)28-15-6-4-14(5-7-15)23-18(25)13-3-8-16(20)17(10-13)24(26)27/h3-10H,1-2H3,(H,23,25)