N-(2-methyl-4-nitro-phenyl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H24N6O4S MolecularWeight: 468.52876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H24N6O4S/c1-15-14-18(28(30)31)8-9-19(15)23-20(29)16(2)33-22-25-24-21(26-10-12-32-13-11-26)27(22)17-6-4-3-5-7-17/h3-9,14,16H,10-13H2,1-2H3,(H,23,29)