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

Systemtic Name: 3-[4-methyl-5-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-5-(4-morpholinosulfonyl-2-nitro-phenyl)sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-methyl-5-[(4-morpholinosulfonyl-2-nitro-phenyl)thio]-1,2,4-triazol-3-yl]propionamide Formula: C16H20N6O6S2 MolecularWeight: 456.4966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])CCC(=O)N

InChI

InChI=1S/C16H20N6O6S2/c1-20-15(5-4-14(17)23)18-19-16(20)29-13-3-2-11(10-12(13)22(24)25)30(26,27)21-6-8-28-9-7-21/h2-3,10H,4-9H2,1H3,(H2,17,23)