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

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-(phenylmethyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-benzyl-2-[(3-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-3-(phenylmethyl)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-benzyl-2-[(3-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-benzyl-2-[(3-nitrobenzyl)thio]thieno[3,2-d]pyrimidin-4-one Formula: C20H15N3O3S2 MolecularWeight: 409.4814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O3S2/c24-19-18-17(9-10-27-18)21-20(22(19)12-14-5-2-1-3-6-14)28-13-15-7-4-8-16(11-15)23(25)26/h1-11H,12-13H2