N-(4-iodanyl-2-methyl-phenyl)-1-(2-nitrophenyl)sulfanyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-1-(2-nitrophenyl)sulfanyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-1-(2-nitrophenyl)sulfanyl-pyrrolidine-2-carboxamide CAS Name: N-(4-iodo-2-methylphenyl)-1-[(2-nitrophenyl)thio]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-iodo-2-methylphenyl)-1-(2-nitrophenyl)sulfanylpyrrolidine-2-carboxamide Traditional Name: N-(4-iodo-2-methyl-phenyl)-1-[(2-nitrophenyl)thio]pyrrolidine-2-carboxamide Formula: C18H18IN3O3S MolecularWeight: 483.32329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)C2CCCN2SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)C2CCCN2SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18IN3O3S/c1-12-11-13(19)8-9-14(12)20-18(23)16-6-4-10-21(16)26-17-7-3-2-5-15(17)22(24)25/h2-3,5,7-9,11,16H,4,6,10H2,1H3,(H,20,23)