5,5,7,7-tetramethyl-2-[(3-methyl-4-nitro-pyridin-2-yl)methylsulfanyl]-3H-cyclopenta[f]benzimidazol-6-one

Systemtic Name: 5,5,7,7-tetramethyl-2-[(3-methyl-4-nitro-pyridin-2-yl)methylsulfanyl]-3H-cyclopenta[f]benzimidazol-6-one Openeye Name: 5,5,7,7-tetramethyl-2-[(3-methyl-4-nitro-2-pyridyl)methylsulfanyl]-3H-cyclopenta[f]benzimidazol-6-one CAS Name: 5,5,7,7-tetramethyl-2-[(3-methyl-4-nitro-2-pyridinyl)methylthio]-3H-cyclopenta[f]benzimidazol-6-one IUPAC Name: 5,5,7,7-tetramethyl-2-[(3-methyl-4-nitropyridin-2-yl)methylsulfanyl]-3H-cyclopenta[f]benzimidazol-6-one Traditional Name: 5,5,7,7-tetramethyl-2-[(3-methyl-4-nitro-2-pyridyl)methylthio]-3H-cyclopenta[f]benzimidazol-6-one Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=C(N2)C=C4C(=C3)C(C(=O)C4(C)C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=C(N2)C=C4C(=C3)C(C(=O)C4(C)C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-11-16(22-7-6-17(11)25(27)28)10-29-19-23-14-8-12-13(9-15(14)24-19)21(4,5)18(26)20(12,2)3/h6-9H,10H2,1-5H3,(H,23,24)