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

Systemtic Name: 3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C1)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C1)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O4S/c27-19(24-11-4-7-16-13-17(26(29)30)8-9-18(16)24)14-31-21-23-22-20(28)25(21)12-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,13H,4,7,10-12,14H2,(H,22,28)