2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]-1-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C20H27N5O3S2 MolecularWeight: 449.59008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)N2CCCC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)N2CCCC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H27N5O3S2/c1-14(2)19-21-20(23-22-19)29-13-18(26)25-11-5-6-15-12-16(7-8-17(15)25)30(27,28)24-9-3-4-10-24/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,21,22,23)