N-[4-[1-(4-methylphenyl)sulfanyl-2-nitro-ethyl]phenyl]ethanamide

Systemtic Name: N-[4-[1-(4-methylphenyl)sulfanyl-2-nitro-ethyl]phenyl]ethanamide Openeye Name: N-[4-[2-nitro-1-(p-tolylsulfanyl)ethyl]phenyl]acetamide CAS Name: N-[4-[1-[(4-methylphenyl)thio]-2-nitroethyl]phenyl]acetamide IUPAC Name: N-[4-[1-(4-methylphenyl)sulfanyl-2-nitroethyl]phenyl]acetamide Traditional Name: N-[4-[2-nitro-1-(p-tolylthio)ethyl]phenyl]acetamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S/c1-12-3-9-16(10-4-12)23-17(11-19(21)22)14-5-7-15(8-6-14)18-13(2)20/h3-10,17H,11H2,1-2H3,(H,18,20)