ethanol; 3-methyl-4-thiophen-2-yl-1,2,4,6,7,8-hexahydropyrazolo[3,4-b]quinolin-5-one

Systemtic Name: ethanol; 3-methyl-4-thiophen-2-yl-1,2,4,6,7,8-hexahydropyrazolo[3,4-b]quinolin-5-one Openeye Name: ethanol; 3-methyl-4-(2-thienyl)-1,2,4,6,7,8-hexahydropyrazolo[3,4-b]quinolin-5-one CAS Name: ethanol; 3-methyl-4-thiophen-2-yl-1,2,4,6,7,8-hexahydropyrazolo[3,4-b]quinolin-5-one IUPAC Name: ethanol; 3-methyl-4-thiophen-2-yl-1,2,4,6,7,8-hexahydropyrazolo[3,4-b]quinolin-5-one Traditional Name: ethanol; 3-methyl-4-(2-thienyl)-1,2,4,6,7,8-hexahydropyrazolo[3,4-b]quinolin-5-one Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CC1=C2C(C3=C(CCCC3=O)N=C2NN1)C4=CC=CS4

Isomeric SMILES

CCO.CC1=C2C(C3=C(CCCC3=O)N=C2NN1)C4=CC=CS4

InChI

InChI=1S/C15H15N3OS.C2H6O/c1-8-12-14(11-6-3-7-20-11)13-9(4-2-5-10(13)19)16-15(12)18-17-8;1-2-3/h3,6-7,14H,2,4-5H2,1H3,(H2,16,17,18);3H,2H2,1H3