N-(furan-2-ylmethyl)-5-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(furan-2-ylmethyl)-5-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(2-furylmethyl)-5-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-(2-furanylmethyl)-5-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(furan-2-ylmethyl)-5-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: 2-furfuryl-[5-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C18H19N5O5S3 MolecularWeight: 481.56896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5S3/c24-23(25)15-11-14(31(26,27)22-8-2-1-3-9-22)6-7-16(15)29-18-21-20-17(30-18)19-12-13-5-4-10-28-13/h4-7,10-11H,1-3,8-9,12H2,(H,19,20)