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

Systemtic Name: 2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[(4-allyl-1,2,4-triazol-3-yl)thio]-1-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C20H25N5O3S2 MolecularWeight: 447.5742

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SCC(=O)N2CCCC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C=CCN1C=NN=C1SCC(=O)N2CCCC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H25N5O3S2/c1-2-9-23-15-21-22-20(23)29-14-19(26)25-12-5-6-16-13-17(7-8-18(16)25)30(27,28)24-10-3-4-11-24/h2,7-8,13,15H,1,3-6,9-12,14H2