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

Systemtic Name: 3-methyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-methyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,2,4-triazol-4-amine CAS Name: 3-methyl-5-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]-1,2,4-triazol-4-amine IUPAC Name: 3-methyl-5-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1,2,4-triazol-4-amine Traditional Name: [3-methyl-5-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]-1,2,4-triazol-4-yl]amine Formula: C13H16N6O4S2 MolecularWeight: 384.43394

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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)N3CCCC3

Isomeric SMILES

CC1=NN=C(N1N)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C13H16N6O4S2/c1-9-15-16-13(18(9)14)24-11-5-4-10(19(20)21)8-12(11)25(22,23)17-6-2-3-7-17/h4-5,8H,2-3,6-7,14H2,1H3