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

Systemtic Name: 2,3-dimethyl-7-nitro-9-(phenylmethylsulfanyl)-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 9-benzylsulfanyl-2,3-dimethyl-7-nitro-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2,3-dimethyl-7-nitro-9-(phenylmethylthio)-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 9-benzylsulfanyl-2,3-dimethyl-7-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 9-(benzylthio)-2,3-dimethyl-7-nitro-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C19H15N3O3S2 MolecularWeight: 397.4707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=O)N1C)SC3=C2C(=CC(=C3)[N+](=O)[O-])SCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=O)N1C)SC3=C2C(=CC(=C3)[N+](=O)[O-])SCC4=CC=CC=C4

InChI

InChI=1S/C19H15N3O3S2/c1-11-20-17-16-14(26-10-12-6-4-3-5-7-12)8-13(22(24)25)9-15(16)27-18(17)19(23)21(11)2/h3-9H,10H2,1-2H3