2-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[5-(4-chlorobenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C20H17ClN4O4S MolecularWeight: 444.89138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClN4O4S/c1-12-17(10-13-2-4-14(21)5-3-13)19(27)24-20(22-12)30-11-18(26)23-15-6-8-16(9-7-15)25(28)29/h2-9H,10-11H2,1H3,(H,23,26)(H,22,24,27)