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

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C22H21N5O3S MolecularWeight: 435.49884

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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(=N3)C4CC4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C1)C(=O)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N5O3S/c28-20(25-12-4-5-16-13-18(27(29)30)10-11-19(16)25)14-31-22-23-21(15-8-9-15)26(24-22)17-6-2-1-3-7-17/h1-3,6-7,10-11,13,15H,4-5,8-9,12,14H2