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

Systemtic Name: 4-(1,2,4-triazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 4-(1,2,4-triazol-1-yl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 4-(1,2,4-triazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 4-(1,2,4-triazol-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 4-(1,2,4-triazol-1-yl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C12H11N5S MolecularWeight: 257.31424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=CN=C3S2)N4C=NC=N4

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=CN=C3S2)N4C=NC=N4

InChI

InChI=1S/C12H11N5S/c1-2-4-9-8(3-1)10-11(17-7-13-5-16-17)14-6-15-12(10)18-9/h5-7H,1-4H2