2-[(3-nitrophenyl)methylsulfanyl]-3-phenyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-3-phenyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(3-nitrobenzyl)thio]-3-phenyl-thieno[3,2-d]pyrimidin-4-one Formula: C19H13N3O3S2 MolecularWeight: 395.45482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O3S2/c23-18-17-16(9-10-26-17)20-19(21(18)14-6-2-1-3-7-14)27-12-13-5-4-8-15(11-13)22(24)25/h1-11H,12H2