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

Systemtic Name: 2-methylsulfanyl-4-(phenylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 4-benzylsulfanyl-2-methylsulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 2-(methylthio)-4-(phenylmethylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 4-benzylsulfanyl-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 4-(benzylthio)-2-(methylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C18H18N2S3 MolecularWeight: 358.54392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2S3/c1-21-18-19-16(22-11-12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)23-17(15)20-18/h2-4,7-8H,5-6,9-11H2,1H3