N-(2-methyl-4-nitro-phenyl)-2-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-[[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-[[4-phenyl-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-[[4-phenyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-2-[[4-phenyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H22N6O4S MolecularWeight: 526.56638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H22N6O4S/c1-18-15-21(33(35)36)12-13-22(18)29-25(34)17-38-27-31-30-24(32(27)20-9-3-2-4-10-20)16-37-23-11-5-7-19-8-6-14-28-26(19)23/h2-15H,16-17H2,1H3,(H,29,34)