N-(1,3-diethyl-2-oxidanylidene-benzimidazol-5-yl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-diethyl-2-oxidanylidene-benzimidazol-5-yl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-diethyl-2-oxo-benzimidazol-5-yl)-2-[(5-nitro-2-pyridyl)sulfanyl]acetamide CAS Name: N-(1,3-diethyl-2-oxo-5-benzimidazolyl)-2-[(5-nitro-2-pyridinyl)thio]acetamide IUPAC Name: N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(5-nitropyridin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-diethyl-2-keto-benzimidazol-5-yl)-2-[(5-nitro-2-pyridyl)thio]acetamide Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-])N(C1=O)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC=C(C=C3)[N+](=O)[O-])N(C1=O)CC

InChI

InChI=1S/C18H19N5O4S/c1-3-21-14-7-5-12(9-15(14)22(4-2)18(21)25)20-16(24)11-28-17-8-6-13(10-19-17)23(26)27/h5-10H,3-4,11H2,1-2H3,(H,20,24)