1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1,2,4-triazole-3-carbonitrile Formula: C15H16N6O4S MolecularWeight: 376.39034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NC(=N3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NC(=N3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O4S/c16-10-15-17-11-20(18-15)13-6-5-12(9-14(13)21(22)23)26(24,25)19-7-3-1-2-4-8-19/h5-6,9,11H,1-4,7-8H2