4-[(4-chlorophenyl)methylsulfanyl]-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-methylsulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 4-[(4-chlorophenyl)methylthio]-2-(methylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 4-[(4-chlorobenzyl)thio]-2-(methylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C18H17ClN2S3 MolecularWeight: 392.98898

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CSC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H17ClN2S3/c1-22-18-20-16(23-10-11-6-8-12(19)9-7-11)15-13-4-2-3-5-14(13)24-17(15)21-18/h6-9H,2-5,10H2,1H3