N-(3-ethylphenyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(3-ethylphenyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(3-ethylphenyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(3-ethylphenyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(3-ethylphenyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(3-ethylphenyl)-4-(methylthio)-3-nitro-benzamide Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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