3-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)SC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CCCC2=CC=CC=C21)SC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-16(20(27)25-14-7-11-18-10-5-6-12-19(18)25)29-22-24-23-21(28)26(22)15-13-17-8-3-2-4-9-17/h2-6,8-10,12,16H,7,11,13-15H2,1H3,(H,23,28)/t16-/m0/s1