5-chloranyl-N-(2-methyl-5-nitro-phenyl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(2-methyl-5-nitro-phenyl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(2-methyl-5-nitro-phenyl)-2-(o-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2-methyl-5-nitrophenyl)-2-[(2-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(2-methyl-5-nitrophenyl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(2-methylbenzyl)thio]-N-(2-methyl-5-nitro-phenyl)pyrimidine-4-carboxamide Formula: C20H17ClN4O3S MolecularWeight: 428.89198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3C

InChI

InChI=1S/C20H17ClN4O3S/c1-12-5-3-4-6-14(12)11-29-20-22-10-16(21)18(24-20)19(26)23-17-9-15(25(27)28)8-7-13(17)2/h3-10H,11H2,1-2H3,(H,23,26)