3-[(4-methoxyphenyl)methyl]-8-nitro-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-8-nitro-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-[(4-methoxyphenyl)methyl]-8-nitro-2-phenacylsulfanyl-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-[(4-methoxyphenyl)methyl]-8-nitro-2-(phenacylthio)-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-[(4-methoxyphenyl)methyl]-8-nitro-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 8-nitro-3-p-anisyl-2-(phenacylthio)benzothiopheno[3,2-d]pyrimidin-4-one Formula: C26H19N3O5S2 MolecularWeight: 517.57616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H19N3O5S2/c1-34-19-10-7-16(8-11-19)14-28-25(31)24-23(20-13-18(29(32)33)9-12-22(20)36-24)27-26(28)35-15-21(30)17-5-3-2-4-6-17/h2-13H,14-15H2,1H3