N,N-dimethyl-1-[5-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propan-1-amine

Systemtic Name: N,N-dimethyl-1-[5-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: N,N-dimethyl-1-[5-(4-morpholinosulfonyl-2-nitro-phenyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propan-1-amine CAS Name: N,N-dimethyl-1-[5-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]thio]-4-phenyl-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: N,N-dimethyl-1-[5-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: dimethyl-[1-[5-[(4-morpholinosulfonyl-2-nitro-phenyl)thio]-4-phenyl-1,2,4-triazol-3-yl]propyl]amine Formula: C23H28N6O5S2 MolecularWeight: 532.63562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1C2=CC=CC=C2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])N(C)C

Isomeric SMILES

CCC(C1=NN=C(N1C2=CC=CC=C2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C23H28N6O5S2/c1-4-19(26(2)3)22-24-25-23(28(22)17-8-6-5-7-9-17)35-21-11-10-18(16-20(21)29(30)31)36(32,33)27-12-14-34-15-13-27/h5-11,16,19H,4,12-15H2,1-3H3