4,6-bis[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-pyrimidine

Systemtic Name: 4,6-bis[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-pyrimidine Openeye Name: 4,6-bis[(1-cyclohexyltetrazol-5-yl)sulfanyl]-5-nitro-pyrimidine CAS Name: 4,6-bis[(1-cyclohexyl-5-tetrazolyl)thio]-5-nitropyrimidine IUPAC Name: 4,6-bis[(1-cyclohexyltetrazol-5-yl)sulfanyl]-5-nitropyrimidine Traditional Name: 4,6-bis[(1-cyclohexyltetrazol-5-yl)thio]-5-nitro-pyrimidine Formula: C18H23N11O2S2 MolecularWeight: 489.57772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SC3=C(C(=NC=N3)SC4=NN=NN4C5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SC3=C(C(=NC=N3)SC4=NN=NN4C5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C18H23N11O2S2/c30-29(31)14-15(32-17-21-23-25-27(17)12-7-3-1-4-8-12)19-11-20-16(14)33-18-22-24-26-28(18)13-9-5-2-6-10-13/h11-13H,1-10H2