N-ethyl-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-ethyl-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-ethyl-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-ethyl-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-ethyl-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-ethyl-3-nitro-4-(p-tolylthio)benzamide Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O3S/c1-3-17-16(19)12-6-9-15(14(10-12)18(20)21)22-13-7-4-11(2)5-8-13/h4-10H,3H2,1-2H3,(H,17,19)