6-methyl-2-[[4-[(4-nitrophenyl)carbamoyl]phenyl]methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[[4-[(4-nitrophenyl)carbamoyl]phenyl]methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-methyl-2-[[4-[(4-nitrophenyl)carbamoyl]phenyl]methylsulfanyl]pyrimidin-4-olate CAS Name: 6-methyl-2-[[4-[(4-nitroanilino)-oxomethyl]phenyl]methylthio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[[4-[(4-nitrophenyl)carbamoyl]phenyl]methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-methyl-2-[[4-[(4-nitrophenyl)carbamoyl]benzyl]thio]pyrimidin-4-olate Formula: C19H15N4O4S- MolecularWeight: 395.4118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[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)/p-1