1-methyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-N-phenyl-pyrimidine-5-carboxamide

Systemtic Name: 1-methyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-N-phenyl-pyrimidine-5-carboxamide Openeye Name: 1-methyl-6-oxo-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-N-phenyl-pyrimidine-5-carboxamide CAS Name: 1-methyl-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-6-oxo-N-phenyl-5-pyrimidinecarboxamide IUPAC Name: 1-methyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide Traditional Name: 6-keto-2-[[2-keto-2-(p-tolyl)ethyl]thio]-1-methyl-N-phenyl-pyrimidine-5-carboxamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=O)N2C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=O)N2C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3S/c1-14-8-10-15(11-9-14)18(25)13-28-21-22-12-17(20(27)24(21)2)19(26)23-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,23,26)