4-(naphthalen-1-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Systemtic Name: 4-(naphthalen-1-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 4-(1-naphthylmethylsulfanyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 4-(1-naphthalenylmethylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 4-(naphthalen-1-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 4-(1-naphthylmethylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C21H18N2S2 MolecularWeight: 362.51102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C21H18N2S2/c1-2-9-16-14(6-1)7-5-8-15(16)12-24-20-19-17-10-3-4-11-18(17)25-21(19)23-13-22-20/h1-2,5-9,13H,3-4,10-12H2