N-[(4-ethylphenyl)methyl]-N-methyl-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[(4-ethylphenyl)methyl]-N-methyl-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[(4-ethylphenyl)methyl]-N-methyl-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[(4-ethylphenyl)methyl]-N-methyl-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[(4-ethylphenyl)methyl]-N-methyl-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(4-ethylbenzyl)-N-methyl-4-(methylthio)-3-nitro-benzamide Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O3S/c1-4-13-5-7-14(8-6-13)12-19(2)18(21)15-9-10-17(24-3)16(11-15)20(22)23/h5-11H,4,12H2,1-3H3