2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-methyl-6-oxo-1-phenyl-pyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(4-methyl-6-oxo-1-phenyl-2-pyrimidinyl)thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(6-keto-4-methyl-1-phenyl-pyrimidin-2-yl)thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C20H15N5O4S2 MolecularWeight: 453.4942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H15N5O4S2/c1-12-9-18(27)24(13-5-3-2-4-6-13)20(21-12)30-11-17(26)23-19-22-15-10-14(25(28)29)7-8-16(15)31-19/h2-10H,11H2,1H3,(H,22,23,26)