5-(4-chlorophenyl)-4-pentylsulfanyl-thieno[2,3-d]pyrimidine

Systemtic Name: 5-(4-chlorophenyl)-4-pentylsulfanyl-thieno[2,3-d]pyrimidine Openeye Name: 5-(4-chlorophenyl)-4-pentylsulfanyl-thieno[2,3-d]pyrimidine CAS Name: 5-(4-chlorophenyl)-4-(pentylthio)thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-chlorophenyl)-4-pentylsulfanylthieno[2,3-d]pyrimidine Traditional Name: 4-(amylthio)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine Formula: C17H17ClN2S2 MolecularWeight: 348.91328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCSC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H17ClN2S2/c1-2-3-4-9-21-16-15-14(10-22-17(15)20-11-19-16)12-5-7-13(18)8-6-12/h5-8,10-11H,2-4,9H2,1H3