1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]-1,2,4-triazole-3-carbonitrile Formula: C15H16N6O4S MolecularWeight: 376.39034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NC(=N3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NC(=N3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O4S/c1-11-4-6-19(7-5-11)26(24,25)12-2-3-13(14(8-12)21(22)23)20-10-17-15(9-16)18-20/h2-3,8,10-11H,4-7H2,1H3