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

Systemtic Name: 4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-1,2,4-triazole-3-carbonitrile Openeye Name: 4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-1,2,4-triazole-3-carbonitrile CAS Name: 4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-carbonitrile Traditional Name: 4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)-1,2,4-triazole-3-carbonitrile Formula: C13H12N6O4S MolecularWeight: 348.33718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NN=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NN=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O4S/c14-8-13-16-15-9-18(13)11-4-3-10(7-12(11)19(20)21)24(22,23)17-5-1-2-6-17/h3-4,7,9H,1-2,5-6H2