[2-(2-pyrrolidin-1-ylethylsulfanyl)phenyl] N-phenylbenzenecarboximidate hydrochloride

Systemtic Name: [2-(2-pyrrolidin-1-ylethylsulfanyl)phenyl] N-phenylbenzenecarboximidate hydrochloride Openeye Name: [2-(2-pyrrolidin-1-ylethylsulfanyl)phenyl] N-phenylbenzenecarboximidate hydrochloride CAS Name: N-phenylbenzenecarboximidic acid [2-[2-(1-pyrrolidinyl)ethylthio]phenyl] ester hydrochloride IUPAC Name: [2-(2-pyrrolidin-1-ylethylsulfanyl)phenyl] N-phenylbenzenecarboximidate hydrochloride Traditional Name: N-phenylbenzenecarboximidic acid [2-(2-pyrrolidinoethylthio)phenyl] ester hydrochloride Formula: C25H27ClN2OS MolecularWeight: 439.01268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSC2=CC=CC=C2OC(=NC3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CCN(C1)CCSC2=CC=CC=C2OC(=NC3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C25H26N2OS.ClH/c1-3-11-21(12-4-1)25(26-22-13-5-2-6-14-22)28-23-15-7-8-16-24(23)29-20-19-27-17-9-10-18-27;/h1-8,11-16H,9-10,17-20H2;1H