4-(2-methylprop-2-enylsulfanyl)-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Systemtic Name: 4-(2-methylprop-2-enylsulfanyl)-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 4-(2-methylallylsulfanyl)-2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 4-(2-methylprop-2-enylthio)-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 4-(2-methylprop-2-enylsulfanyl)-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 4-(2-methylallylthio)-2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C20H20N2S2 MolecularWeight: 352.5162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NC(=NC2=C1C3=C(S2)CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(=C)CSC1=NC(=NC2=C1C3=C(S2)CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H20N2S2/c1-13(2)12-23-19-17-15-10-6-7-11-16(15)24-20(17)22-18(21-19)14-8-4-3-5-9-14/h3-5,8-9H,1,6-7,10-12H2,2H3