N-(2-methyl-5-nitro-phenyl)-2-propylsulfanyl-benzamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-propylsulfanyl-benzamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-propylsulfanyl-benzamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-(propylthio)benzamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-propylsulfanylbenzamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-(propylthio)benzamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCSC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N2O3S/c1-3-10-23-16-7-5-4-6-14(16)17(20)18-15-11-13(19(21)22)9-8-12(15)2/h4-9,11H,3,10H2,1-2H3,(H,18,20)