2-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole

Systemtic Name: 2-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole Openeye Name: 2-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]sulfanyl-5-(2-thienyl)-1,3,4-oxadiazole CAS Name: 2-[[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]thio]-5-thiophen-2-yl-1,3,4-oxadiazole IUPAC Name: 2-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-5-thiophen-2-yl-1,3,4-oxadiazole Traditional Name: 2-[[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]thio]-5-(2-thienyl)-1,3,4-oxadiazole Formula: C18H18N4O5S3 MolecularWeight: 466.55432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(O3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(O3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S3/c1-12-6-8-21(9-7-12)30(25,26)13-4-5-15(14(11-13)22(23)24)29-18-20-19-17(27-18)16-3-2-10-28-16/h2-5,10-12H,6-9H2,1H3