N-[4-(2-methyl-4-oxidanylidene-1H-pyrimidin-6-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[4-(2-methyl-4-oxidanylidene-1H-pyrimidin-6-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[4-(2-methyl-4-oxo-1H-pyrimidin-6-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[4-(2-methyl-4-oxo-1H-pyrimidin-6-yl)phenyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[4-(2-methyl-4-oxo-1H-pyrimidin-6-yl)phenyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[4-(4-keto-2-methyl-1H-pyrimidin-6-yl)phenyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C=C(N1)C2=CC=C(C=C2)NC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C=C(N1)C2=CC=C(C=C2)NC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S/c1-12(29-17-9-7-16(8-10-17)24(27)28)20(26)23-15-5-3-14(4-6-15)18-11-19(25)22-13(2)21-18/h3-12H,1-2H3,(H,23,26)(H,21,22,25)