3-methyl-5-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)sulfanyl-1,2,4-triazol-4-amine

Systemtic Name: 3-methyl-5-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)sulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-methyl-5-(2-morpholinosulfonyl-4-nitro-phenyl)sulfanyl-1,2,4-triazol-4-amine CAS Name: 3-methyl-5-[[2-(4-morpholinylsulfonyl)-4-nitrophenyl]thio]-1,2,4-triazol-4-amine IUPAC Name: 3-methyl-5-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)sulfanyl-1,2,4-triazol-4-amine Traditional Name: [3-methyl-5-[(2-morpholinosulfonyl-4-nitro-phenyl)thio]-1,2,4-triazol-4-yl]amine Formula: C13H16N6O5S2 MolecularWeight: 400.43334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=NN=C(N1N)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C13H16N6O5S2/c1-9-15-16-13(18(9)14)25-11-3-2-10(19(20)21)8-12(11)26(22,23)17-4-6-24-7-5-17/h2-3,8H,4-7,14H2,1H3