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

Systemtic Name: 8-nitro-2-phenacylsulfanyl-3-(phenylmethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-benzyl-8-nitro-2-phenacylsulfanyl-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 8-nitro-2-(phenacylthio)-3-(phenylmethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-benzyl-8-nitro-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-benzyl-8-nitro-2-(phenacylthio)benzothiopheno[3,2-d]pyrimidin-4-one Formula: C25H17N3O4S2 MolecularWeight: 487.55018

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C25H17N3O4S2/c29-20(17-9-5-2-6-10-17)15-33-25-26-22-19-13-18(28(31)32)11-12-21(19)34-23(22)24(30)27(25)14-16-7-3-1-4-8-16/h1-13H,14-15H2