N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-methyl-4-nitro-benzamide Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S/c1-12-4-6-16(11-13(12)2)24-9-8-19-18(21)15-5-7-17(20(22)23)14(3)10-15/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)