4-methyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,2,4-triazole

Systemtic Name: 4-methyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,2,4-triazole Openeye Name: 4-methyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,2,4-triazole CAS Name: 4-methyl-3-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1,2,4-triazole Traditional Name: 4-methyl-3-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]-1,2,4-triazole Formula: C13H15N5O4S2 MolecularWeight: 369.4193

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O4S2/c1-16-9-14-15-13(16)23-12-5-4-10(8-11(12)18(19)20)24(21,22)17-6-2-3-7-17/h4-5,8-9H,2-3,6-7H2,1H3