(3-nitro-4-pyridin-2-ylsulfanyl-phenyl)-(2,3,4,5,6-pentamethylphenyl)methanone

Systemtic Name: (3-nitro-4-pyridin-2-ylsulfanyl-phenyl)-(2,3,4,5,6-pentamethylphenyl)methanone Openeye Name: [3-nitro-4-(2-pyridylsulfanyl)phenyl]-(2,3,4,5,6-pentamethylphenyl)methanone CAS Name: [3-nitro-4-(2-pyridinylthio)phenyl]-(2,3,4,5,6-pentamethylphenyl)methanone IUPAC Name: (3-nitro-4-pyridin-2-ylsulfanylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone Traditional Name: [3-nitro-4-(2-pyridylthio)phenyl]-(2,3,4,5,6-pentamethylphenyl)methanone Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-])C)C

InChI

InChI=1S/C23H22N2O3S/c1-13-14(2)16(4)22(17(5)15(13)3)23(26)18-9-10-20(19(12-18)25(27)28)29-21-8-6-7-11-24-21/h6-12H,1-5H3