N-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]benzamide

Systemtic Name: N-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]benzamide Openeye Name: N-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-thieno[3,2-d]pyrimidin-3-yl]benzamide CAS Name: N-[2-[(3-nitrophenyl)methylthio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]benzamide IUPAC Name: N-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]benzamide Traditional Name: N-[4-keto-2-[(3-nitrobenzyl)thio]thieno[3,2-d]pyrimidin-3-yl]benzamide Formula: C20H14N4O4S2 MolecularWeight: 438.47956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O4S2/c25-18(14-6-2-1-3-7-14)22-23-19(26)17-16(9-10-29-17)21-20(23)30-12-13-5-4-8-15(11-13)24(27)28/h1-11H,12H2,(H,22,25)