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

Systemtic Name: 1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O3S/c1-2-12-26-21(16-7-4-3-5-8-16)23-24-22(26)31-15-20(28)25-13-6-9-17-14-18(27(29)30)10-11-19(17)25/h2-5,7-8,10-11,14H,1,6,9,12-13,15H2