4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-N-(4-nitrophenyl)benzamide

Systemtic Name: 4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-N-(4-nitrophenyl)benzamide Openeye Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-N-(4-nitrophenyl)benzamide CAS Name: 4-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-N-(4-nitrophenyl)benzamide IUPAC Name: 4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-N-(4-nitrophenyl)benzamide Traditional Name: 4-[[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]-N-(4-nitrophenyl)benzamide Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O4S/c1-12-10-17(24)22-19(20-12)28-11-13-2-4-14(5-3-13)18(25)21-15-6-8-16(9-7-15)23(26)27/h2-10H,11H2,1H3,(H,21,25)(H,20,22,24)