3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-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-propyl-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-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-propyl-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-propyl-1H-1,2,4-triazol-5-one Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)N2CCCC3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)N2CCCC3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4S/c1-2-7-20-15(23)17-18-16(20)26-10-14(22)19-8-3-4-11-9-12(21(24)25)5-6-13(11)19/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,23)