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

Systemtic Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C20H15N5O3S2 MolecularWeight: 437.4948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O3S2/c1-12-9-15(13-5-3-2-4-6-13)22-19(21-12)29-11-18(26)24-20-23-16-10-14(25(27)28)7-8-17(16)30-20/h2-10H,11H2,1H3,(H,23,24,26)