2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C20H12N6O4S2 MolecularWeight: 464.47708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H12N6O4S2/c21-9-13-17(11-4-2-1-3-5-11)24-19(25-18(13)28)31-10-16(27)23-20-22-14-7-6-12(26(29)30)8-15(14)32-20/h1-8H,10H2,(H,22,23,27)(H,24,25,28)