(4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenyl) naphthalene-2-carboxylate

Systemtic Name: (4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenyl) naphthalene-2-carboxylate Openeye Name: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [4-bromo-2-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C22H18BrNO2S MolecularWeight: 440.35282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(C1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H18BrNO2S/c23-18-9-10-20(19(14-18)21(27)24-11-3-4-12-24)26-22(25)17-8-7-15-5-1-2-6-16(15)13-17/h1-2,5-10,13-14H,3-4,11-12H2