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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(4-nitrophenyl)methylthio]-3-phenethyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-phenethylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-nitrobenzyl)thio]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=CS3)N=C2SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=CS3)N=C2SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O3S2/c25-20-19-18(11-13-28-19)22-21(23(20)12-10-15-4-2-1-3-5-15)29-14-16-6-8-17(9-7-16)24(26)27/h1-9,11,13H,10,12,14H2