3-methyl-N-[4-(4-nitrophenyl)sulfanylphenyl]butanamide

Systemtic Name: 3-methyl-N-[4-(4-nitrophenyl)sulfanylphenyl]butanamide Openeye Name: 3-methyl-N-[4-(4-nitrophenyl)sulfanylphenyl]butanamide CAS Name: 3-methyl-N-[4-[(4-nitrophenyl)thio]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-(4-nitrophenyl)sulfanylphenyl]butanamide Traditional Name: 3-methyl-N-[4-[(4-nitrophenyl)thio]phenyl]butyramide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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