4-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[[(4-chlorophenyl)thio]methyl]-2-phenyl-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]-2-phenyl-6-pyrrolidino-pyrimidine Formula: C21H20ClN3S MolecularWeight: 381.9216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=C2)CSC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=C2)CSC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3S/c22-17-8-10-19(11-9-17)26-15-18-14-20(25-12-4-5-13-25)24-21(23-18)16-6-2-1-3-7-16/h1-3,6-11,14H,4-5,12-13,15H2