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

Systemtic Name: 4-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 4-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 4-[(4-nitrophenyl)methylthio]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 4-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 4-[(4-nitrobenzyl)thio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C17H15N3O2S2 MolecularWeight: 357.4499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O2S2/c21-20(22)12-7-5-11(6-8-12)9-23-16-15-13-3-1-2-4-14(13)24-17(15)19-10-18-16/h5-8,10H,1-4,9H2