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

Systemtic Name: 2-ethyl-4-phenylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 2-ethyl-4-phenylsulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 2-ethyl-4-(phenylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 2-ethyl-4-phenylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 2-ethyl-4-(phenylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C18H18N2S2 MolecularWeight: 326.47892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SC4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SC4=CC=CC=C4

InChI

InChI=1S/C18H18N2S2/c1-2-15-19-17(21-12-8-4-3-5-9-12)16-13-10-6-7-11-14(13)22-18(16)20-15/h3-5,8-9H,2,6-7,10-11H2,1H3