N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(2-furylmethyl)-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-(2-furanylmethyl)-5-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: 2-furfuryl-[5-[[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C18H20N6O5S3 MolecularWeight: 496.5836

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O5S3/c1-22-6-8-23(9-7-22)32(27,28)14-4-5-16(15(11-14)24(25)26)30-18-21-20-17(31-18)19-12-13-3-2-10-29-13/h2-5,10-11H,6-9,12H2,1H3,(H,19,20)