2,3-dimethyl-7-nitro-9-phenylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2,3-dimethyl-7-nitro-9-phenylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2,3-dimethyl-7-nitro-9-phenylsulfanyl-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2,3-dimethyl-7-nitro-9-(phenylthio)-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 2,3-dimethyl-7-nitro-9-phenylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2,3-dimethyl-7-nitro-9-(phenylthio)benzothiopheno[3,2-d]pyrimidin-4-one Formula: C18H13N3O3S2 MolecularWeight: 383.44412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=O)N1C)SC3=C2C(=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=O)N1C)SC3=C2C(=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4

InChI

InChI=1S/C18H13N3O3S2/c1-10-19-16-15-13(25-12-6-4-3-5-7-12)8-11(21(23)24)9-14(15)26-17(16)18(22)20(10)2/h3-9H,1-2H3