4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-(4-fluorophenyl)-4-thieno[2,3-d]pyrimidinyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]thio]methyl]-3-nitro-benzamide Formula: C20H13FN4O3S2 MolecularWeight: 440.470623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC3=C2C(=NC=N3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C2=CSC3=C2C(=NC=N3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-])F

InChI

InChI=1S/C20H13FN4O3S2/c21-14-5-3-11(4-6-14)15-9-30-20-17(15)19(23-10-24-20)29-8-13-2-1-12(18(22)26)7-16(13)25(27)28/h1-7,9-10H,8H2,(H2,22,26)