2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(4-keto-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C21H16N4O4S2 MolecularWeight: 452.50614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H16N4O4S2/c1-12-17(13-6-3-2-4-7-13)18-19(27)23-21(24-20(18)31-12)30-11-16(26)22-14-8-5-9-15(10-14)25(28)29/h2-10H,11H2,1H3,(H,22,26)(H,23,24,27)