5-(4-bromophenyl)-4-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidine

Systemtic Name: 5-(4-bromophenyl)-4-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidine Openeye Name: 5-(4-bromophenyl)-4-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidine CAS Name: 5-(4-bromophenyl)-4-[(4-nitrophenyl)methylthio]thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-bromophenyl)-4-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidine Traditional Name: 5-(4-bromophenyl)-4-[(4-nitrobenzyl)thio]thieno[2,3-d]pyrimidine Formula: C19H12BrN3O2S2 MolecularWeight: 458.35148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H12BrN3O2S2/c20-14-5-3-13(4-6-14)16-10-27-19-17(16)18(21-11-22-19)26-9-12-1-7-15(8-2-12)23(24)25/h1-8,10-11H,9H2