4-methyl-3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-3-nitro-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-methyl-3-nitro-benzamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O3S/c1-13-7-8-15(11-16(13)19(21)22)17(20)18-9-10-23-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,18,20)