5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]-N-(4-nitrophenyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]-N-(4-nitrophenyl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-(m-tolylmethylsulfanyl)-N-(4-nitrophenyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(3-methylphenyl)methylthio]-N-(4-nitrophenyl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(3-methylphenyl)methylsulfanyl]-N-(4-nitrophenyl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(3-methylbenzyl)thio]-N-(4-nitrophenyl)pyrimidine-4-carboxamide Formula: C19H15ClN4O3S MolecularWeight: 414.8654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN4O3S/c1-12-3-2-4-13(9-12)11-28-19-21-10-16(20)17(23-19)18(25)22-14-5-7-15(8-6-14)24(26)27/h2-10H,11H2,1H3,(H,22,25)