2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C19H19N5O3S2 MolecularWeight: 429.51586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCC3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCC3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C19H19N5O3S2/c1-2-22-18(16-6-4-10-28-16)20-21-19(22)29-12-17(25)23-9-3-5-13-11-14(24(26)27)7-8-15(13)23/h4,6-8,10-11H,2-3,5,9,12H2,1H3