2-[4-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanylethyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanylethyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[2-[(4-chlorophenyl)-phenyl-methyl]sulfanylethyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[2-[[(4-chlorophenyl)-phenylmethyl]thio]ethyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-[2-[[(4-chlorophenyl)-phenyl-methyl]thio]ethyl]piperazino]pyrimidine Formula: C23H25ClN4S MolecularWeight: 424.9894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCSC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4

InChI

InChI=1S/C23H25ClN4S/c24-21-9-7-20(8-10-21)22(19-5-2-1-3-6-19)29-18-17-27-13-15-28(16-14-27)23-25-11-4-12-26-23/h1-12,22H,13-18H2