4-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitrophenyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-[4-(3,5-dimethylpiperidino)sulfonyl-2-nitro-phenyl]-1,2,4-triazole-3-carbonitrile Formula: C16H18N6O4S MolecularWeight: 390.41692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NN=C3C#N)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NN=C3C#N)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N6O4S/c1-11-5-12(2)9-20(8-11)27(25,26)13-3-4-14(15(6-13)22(23)24)21-10-18-19-16(21)7-17/h3-4,6,10-12H,5,8-9H2,1-2H3