2-[(4-ethylphenyl)methylsulfanyl]-5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-ethylphenyl)methylsulfanyl]-5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-ethylphenyl)methylsulfanyl]-5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(4-ethylphenyl)methylthio]-5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-ethylphenyl)methylsulfanyl]-5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-ethylbenzyl)thio]-5-(2-methoxy-5-nitro-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C)CC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCC1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C)CC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H23N3O4S/c1-4-15-5-7-16(8-6-15)13-30-22-23-14(2)19(21(26)24-22)12-17-11-18(25(27)28)9-10-20(17)29-3/h5-11H,4,12-13H2,1-3H3,(H,23,24,26)