(2Z)-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazole

Systemtic Name: (2Z)-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazole Openeye Name: (2Z)-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazole CAS Name: (2Z)-5-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]thio]-2-(2-pyrrolylidene)-3H-1,3,4-oxadiazole IUPAC Name: (2Z)-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazole Traditional Name: (2Z)-5-[[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]thio]-2-pyrrol-2-ylidene-3H-1,3,4-oxadiazole Formula: C17H18N6O5S2 MolecularWeight: 450.49202

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=C4C=CC=N4)O3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN/C(=C/4\C=CC=N4)/O3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O5S2/c1-21-7-9-22(10-8-21)30(26,27)12-4-5-15(14(11-12)23(24)25)29-17-20-19-16(28-17)13-3-2-6-18-13/h2-6,11,19H,7-10H2,1H3/b16-13-