5-(4-methylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(3-nitrophenyl)methylsulfanyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-[(3-nitrophenyl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(3-nitrobenzyl)thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C23H19N3O3S2 MolecularWeight: 449.54526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CC=C

InChI

InChI=1S/C23H19N3O3S2/c1-3-11-25-22(27)20-19(17-9-7-15(2)8-10-17)14-30-21(20)24-23(25)31-13-16-5-4-6-18(12-16)26(28)29/h3-10,12,14H,1,11,13H2,2H3