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

Systemtic Name: 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-1,2,4-triazole-3-carbonitrile Openeye Name: 1-(4-morpholinosulfonyl-2-nitro-phenyl)-1,2,4-triazole-3-carbonitrile CAS Name: 1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-1,2,4-triazole-3-carbonitrile Traditional Name: 1-(4-morpholinosulfonyl-2-nitro-phenyl)-1,2,4-triazole-3-carbonitrile Formula: C13H12N6O5S MolecularWeight: 364.33658

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)N3C=NC(=N3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)N3C=NC(=N3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O5S/c14-8-13-15-9-18(16-13)11-2-1-10(7-12(11)19(20)21)25(22,23)17-3-5-24-6-4-17/h1-2,7,9H,3-6H2