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

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

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(O3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(O3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S3/c1-12-4-2-8-21(11-12)30(25,26)13-6-7-15(14(10-13)22(23)24)29-18-20-19-17(27-18)16-5-3-9-28-16/h3,5-7,9-10,12H,2,4,8,11H2,1H3