2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-yl-ethanamide

Systemtic Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-yl-acetamide CAS Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide Traditional Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-N-(2-pyrimidyl)acetamide Formula: C13H10N6O3S MolecularWeight: 330.3219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N6O3S/c20-11(18-12-14-4-1-5-15-12)7-23-13-16-9-3-2-8(19(21)22)6-10(9)17-13/h1-6H,7H2,(H,16,17)(H,14,15,18,20)