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

Systemtic Name: N-(furan-2-ylmethyl)-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(2-furylmethyl)-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-(2-furanylmethyl)-5-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(furan-2-ylmethyl)-5-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: 2-furfuryl-[5-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H17N5O5S3 MolecularWeight: 467.54238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=C(S3)NCC4=CC=CO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=C(S3)NCC4=CC=CO4

InChI

InChI=1S/C17H17N5O5S3/c23-22(24)12-5-6-14(15(10-12)30(25,26)21-7-1-2-8-21)28-17-20-19-16(29-17)18-11-13-4-3-9-27-13/h3-6,9-10H,1-2,7-8,11H2,(H,18,19)