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

Systemtic Name: 4-butylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 4-butylsulfanyl-2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 4-(butylthio)-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 4-butylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 4-(butylthio)-2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C20H22N2S2 MolecularWeight: 354.53208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC2=C1C3=C(S2)CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCCCSC1=NC(=NC2=C1C3=C(S2)CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N2S2/c1-2-3-13-23-19-17-15-11-7-8-12-16(15)24-20(17)22-18(21-19)14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3