2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[(1-cyclohexyltetrazol-5-yl)thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C18H22N6O3S MolecularWeight: 402.47068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SCC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SCC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O3S/c25-17(12-28-18-19-20-21-23(18)14-6-2-1-3-7-14)22-10-4-5-13-11-15(24(26)27)8-9-16(13)22/h8-9,11,14H,1-7,10,12H2