3-nitro-4-phenylsulfanyl-N-propan-2-yl-benzamide

Systemtic Name: 3-nitro-4-phenylsulfanyl-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-3-nitro-4-phenylsulfanyl-benzamide CAS Name: 3-nitro-4-(phenylthio)-N-propan-2-ylbenzamide IUPAC Name: 3-nitro-4-phenylsulfanyl-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-3-nitro-4-(phenylthio)benzamide Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-11(2)17-16(19)12-8-9-15(14(10-12)18(20)21)22-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,17,19)