1-(4-tert-butylphenyl)sulfonyl-2-(phenylmethylsulfanyl)-5,6-dihydro-4H-pyrimidine

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-2-(phenylmethylsulfanyl)-5,6-dihydro-4H-pyrimidine Openeye Name: 2-benzylsulfanyl-1-(4-tert-butylphenyl)sulfonyl-5,6-dihydro-4H-pyrimidine CAS Name: 1-(4-tert-butylphenyl)sulfonyl-2-(phenylmethylthio)-5,6-dihydro-4H-pyrimidine IUPAC Name: 2-benzylsulfanyl-1-(4-tert-butylphenyl)sulfonyl-5,6-dihydro-4H-pyrimidine Traditional Name: 2-(benzylthio)-1-(4-tert-butylphenyl)sulfonyl-5,6-dihydro-4H-pyrimidine Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN=C2SCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN=C2SCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2S2/c1-21(2,3)18-10-12-19(13-11-18)27(24,25)23-15-7-14-22-20(23)26-16-17-8-5-4-6-9-17/h4-6,8-13H,7,14-16H2,1-3H3