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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1C)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

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