3-methyl-2-[(4-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-methyl-2-[(4-nitrophenyl)methylthio]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-methyl-2-[(4-nitrobenzyl)thio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C18H13N3O3S3 MolecularWeight: 415.50912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)[N+](=O)[O-])SC=C2C4=CC=CS4

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)[N+](=O)[O-])SC=C2C4=CC=CS4

InChI

InChI=1S/C18H13N3O3S3/c1-20-17(22)15-13(14-3-2-8-25-14)10-26-16(15)19-18(20)27-9-11-4-6-12(7-5-11)21(23)24/h2-8,10H,9H2,1H3