2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(4,6-diphenyl-2-pyrimidinyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(4,6-diphenylpyrimidin-2-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C25H17N5O3S2 MolecularWeight: 499.56418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C25H17N5O3S2/c31-23(29-25-26-19-12-11-18(30(32)33)13-22(19)35-25)15-34-24-27-20(16-7-3-1-4-8-16)14-21(28-24)17-9-5-2-6-10-17/h1-14H,15H2,(H,26,29,31)