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

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C1)C(=O)CSC3=NN=C(N3C4CC4)C5CC5

Isomeric SMILES

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C1)C(=O)CSC3=NN=C(N3C4CC4)C5CC5

InChI

InChI=1S/C19H21N5O3S/c25-17(22-9-1-2-13-10-15(24(26)27)7-8-16(13)22)11-28-19-21-20-18(12-3-4-12)23(19)14-5-6-14/h7-8,10,12,14H,1-6,9,11H2