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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(4-nitrophenyl)methylsulfanyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-nitrophenyl)methylthio]-3-prop-2-enyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(4-nitrobenzyl)thio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C20H15N3O3S3 MolecularWeight: 441.5464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)[N+](=O)[O-])SC=C2C4=CC=CS4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)[N+](=O)[O-])SC=C2C4=CC=CS4

InChI

InChI=1S/C20H15N3O3S3/c1-2-9-22-19(24)17-15(16-4-3-10-27-16)12-28-18(17)21-20(22)29-11-13-5-7-14(8-6-13)23(25)26/h2-8,10,12H,1,9,11H2