2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone

Systemtic Name: 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone Openeye Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone CAS Name: 2-[(1-tert-butyl-5-tetrazolyl)thio]-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone IUPAC Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanone Traditional Name: 2-[(1-tert-butyltetrazol-5-yl)thio]-1-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)ethanone Formula: C17H23N5O3S2 MolecularWeight: 409.52622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C17H23N5O3S2/c1-17(2,3)22-16(18-19-20-22)26-11-15(23)13-7-8-14-12(10-13)6-5-9-21(14)27(4,24)25/h7-8,10H,5-6,9,11H2,1-4H3