N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]propyl]-3-nitro-benzamide

Systemtic Name: N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]propyl]-3-nitro-benzamide Openeye Name: N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]propyl]-3-nitro-benzamide CAS Name: N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylthio]propyl]-3-nitrobenzamide IUPAC Name: N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]propyl]-3-nitrobenzamide Traditional Name: N-[2-methyl-2-[(2,4,6-trimethylbenzyl)thio]propyl]-3-nitro-benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CSC(C)(C)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CSC(C)(C)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C21H26N2O3S/c1-14-9-15(2)19(16(3)10-14)12-27-21(4,5)13-22-20(24)17-7-6-8-18(11-17)23(25)26/h6-11H,12-13H2,1-5H3,(H,22,24)