5-ethyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-ethyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-ethyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1H-1,2,4-triazole CAS Name: 5-ethyl-3-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-1H-1,2,4-triazole IUPAC Name: 5-ethyl-3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1H-1,2,4-triazole Traditional Name: 5-ethyl-3-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]-1H-1,2,4-triazole Formula: C14H17N5O4S2 MolecularWeight: 383.44588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O4S2/c1-2-13-15-14(17-16-13)24-12-6-5-10(9-11(12)19(20)21)25(22,23)18-7-3-4-8-18/h5-6,9H,2-4,7-8H2,1H3,(H,15,16,17)