5-chloranyl-N-(4-methyl-3-nitro-phenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-methyl-3-nitro-phenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(4-methyl-3-nitro-phenyl)-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(4-methyl-3-nitrophenyl)-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(4-methyl-3-nitrophenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(3-methylbenzyl)thio]-N-(4-methyl-3-nitro-phenyl)pyrimidine-4-carboxamide Formula: C20H17ClN4O3S MolecularWeight: 428.89198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-])Cl

InChI

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