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

Systemtic Name: 1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanone Openeye Name: 2-(1-isopropyltetrazol-5-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-[(1-propan-2-yl-5-tetrazolyl)thio]ethanone IUPAC Name: 1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylethanone Traditional Name: 2-[(1-isopropyltetrazol-5-yl)thio]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C15H18N6O3S MolecularWeight: 362.40682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SCC(=O)N2CCCC3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=NN=N1)SCC(=O)N2CCCC3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O3S/c1-10(2)20-15(16-17-18-20)25-9-14(22)19-7-3-4-11-8-12(21(23)24)5-6-13(11)19/h5-6,8,10H,3-4,7,9H2,1-2H3