N-(2-methyl-5-nitro-phenyl)-2-propan-2-ylsulfanyl-benzamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-propan-2-ylsulfanyl-benzamide Openeye Name: 2-isopropylsulfanyl-N-(2-methyl-5-nitro-phenyl)benzamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-(propan-2-ylthio)benzamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-propan-2-ylsulfanylbenzamide Traditional Name: 2-(isopropylthio)-N-(2-methyl-5-nitro-phenyl)benzamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2SC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2SC(C)C

InChI

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