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

Systemtic Name: 2-butylsulfanyl-4-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 4-allylsulfanyl-2-butylsulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 2-(butylthio)-4-(prop-2-enylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 2-butylsulfanyl-4-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 4-(allylthio)-2-(butylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C17H22N2S3 MolecularWeight: 350.56498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC=C

Isomeric SMILES

CCCCSC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC=C

InChI

InChI=1S/C17H22N2S3/c1-3-5-11-21-17-18-15(20-10-4-2)14-12-8-6-7-9-13(12)22-16(14)19-17/h4H,2-3,5-11H2,1H3