4-hexylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Systemtic Name: 4-hexylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 4-hexylsulfanyl-2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 4-(hexylthio)-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 4-hexylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 4-(hexylthio)-2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C22H26N2S2 MolecularWeight: 382.58524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=NC2=C1C3=C(S2)CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCSC1=NC(=NC2=C1C3=C(S2)CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2S2/c1-2-3-4-10-15-25-21-19-17-13-8-9-14-18(17)26-22(19)24-20(23-21)16-11-6-5-7-12-16/h5-7,11-12H,2-4,8-10,13-15H2,1H3