N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[[5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[[5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholinosulfonyl-benzamide Formula: C33H36N6O5S2 MolecularWeight: 660.80614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)N3CCCC4=CC=CC=C43)CNC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCOCC6

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)N3CCCC4=CC=CC=C43)CNC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCOCC6

InChI

InChI=1S/C33H36N6O5S2/c1-23-9-10-24(2)29(20-23)39-30(35-36-33(39)45-22-31(40)38-15-5-7-25-6-3-4-8-28(25)38)21-34-32(41)26-11-13-27(14-12-26)46(42,43)37-16-18-44-19-17-37/h3-4,6,8-14,20H,5,7,15-19,21-22H2,1-2H3,(H,34,41)