(4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenyl) 4-nitrobenzoate

Systemtic Name: (4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenyl) 4-nitrobenzoate Openeye Name: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-bromo-2-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C18H15BrN2O4S MolecularWeight: 435.2917

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15BrN2O4S/c19-13-5-8-16(15(11-13)17(26)20-9-1-2-10-20)25-18(22)12-3-6-14(7-4-12)21(23)24/h3-8,11H,1-2,9-10H2